SMILES for Transient receptor potential cation channel subfamily V member 6

55 SMILES Strings for Transient receptor potential cation channel subfamily V member 6

Compound Name

SMILES String

Brc1ccc(CN2CCN(CC2)[C@H]2CC[C@H](CC2)c2ccccc2)cn1 |r,wU:12.12,15.19,(23.99,-43.45,;25.32,-42.69,;25.32,-41.14,;26.66,-40.37,;27.99,-41.15,;29.33,-40.38,;30.66,-41.16,;30.65,-42.71,;31.98,-43.48,;33.32,-42.72,;33.33,-41.18,;31.99,-40.39,;34.65,-43.5,;35.98,-42.74,;37.31,-43.52,;37.29,-45.06,;35.95,-45.82,;34.63,-45.04,;38.61,-45.84,;38.59,-47.37,;39.91,-48.15,;41.25,-47.39,;41.26,-45.85,;39.94,-45.08,;28,-42.69,;26.66,-43.46,)|

BDBM50434537

Brc1ccc(cc1)[B-]1([NH2+]CCO1)c1ccccc1

BDBM50502757

C(N1CCN(CC1)[C@H]1CC[C@H](CC1)c1ccccc1)c1ccc(\N=N/c2ccccc2)nc1 |r,wD:10.14,7.7,(56.85,-13.19,;55.31,-13.17,;54.55,-11.83,;53.01,-11.81,;52.23,-13.13,;52.99,-14.48,;54.52,-14.49,;50.7,-13.12,;49.94,-11.78,;48.39,-11.76,;47.63,-13.1,;48.38,-14.43,;49.92,-14.44,;46.09,-13.09,;45.33,-11.76,;43.79,-11.74,;43.01,-13.07,;43.77,-14.41,;45.32,-14.42,;57.61,-14.53,;59.14,-14.54,;59.89,-15.88,;59.11,-17.21,;59.86,-18.55,;61.4,-18.56,;62.11,-17.2,;61.28,-15.91,;61.99,-14.54,;63.54,-14.47,;64.36,-15.78,;63.65,-17.14,;57.57,-17.19,;56.81,-15.85,)|

BDBM50502761

C(N1CCN(CC1)[C@H]1CC[C@H](CC1)c1ccccc1)c1ccc(\N=N\c2ccccc2)nc1 |r,wD:10.14,7.7,(20.9,-30.41,;19.36,-30.39,;18.57,-31.72,;17.04,-31.7,;16.28,-30.36,;17.06,-29.04,;18.6,-29.06,;14.74,-30.34,;13.99,-29,;12.44,-28.98,;11.68,-30.32,;12.43,-31.66,;13.97,-31.67,;10.14,-30.31,;9.38,-28.98,;7.84,-28.96,;7.05,-30.29,;7.81,-31.64,;9.37,-31.64,;21.66,-31.75,;23.19,-31.76,;23.94,-33.1,;23.16,-34.44,;23.91,-35.78,;25.45,-35.8,;26.2,-37.14,;25.42,-38.46,;26.17,-39.8,;27.71,-39.82,;28.5,-38.48,;27.75,-37.14,;21.62,-34.42,;20.86,-33.08,)|

BDBM50502762

C(N1CCN(CC1)[C@H]1CC[C@H](CC1)c1ccccc1)c1ccc(cc1)\N=N/c1ccccc1 |r,wD:7.7,10.14,(48.79,-30.7,;47.25,-30.68,;46.49,-29.34,;44.95,-29.32,;44.17,-30.65,;44.93,-31.99,;46.46,-32,;42.64,-30.63,;41.88,-29.29,;40.33,-29.27,;39.57,-30.61,;40.32,-31.94,;41.85,-31.95,;38.03,-30.6,;37.26,-31.93,;35.7,-31.92,;34.94,-30.58,;35.72,-29.25,;37.27,-29.27,;49.55,-32.04,;51.07,-32.05,;51.83,-33.39,;51.05,-34.72,;49.5,-34.7,;48.75,-33.36,;51.8,-36.06,;53.33,-36.07,;54.17,-34.77,;53.45,-33.41,;54.29,-32.12,;55.83,-32.19,;56.54,-33.56,;55.7,-34.85,)|

BDBM50502758

C(N1CCN(CC1)[C@H]1CC[C@H](CC1)c1ccccc1)c1ccc(cc1)\N=N\c1ccccc1 |r,wD:10.14,7.7,(48.63,-31.61,;47.09,-31.6,;46.3,-32.92,;44.77,-32.9,;44.01,-31.56,;44.79,-30.24,;46.34,-30.26,;42.48,-31.54,;41.72,-30.2,;40.18,-30.19,;39.41,-31.52,;40.17,-32.86,;41.7,-32.87,;37.87,-31.52,;37.12,-30.18,;35.57,-30.17,;34.79,-31.5,;35.55,-32.84,;37.1,-32.85,;49.39,-32.96,;48.59,-34.28,;49.35,-35.62,;50.89,-35.64,;51.67,-34.3,;50.91,-32.97,;51.64,-36.98,;53.18,-37,;53.93,-38.34,;53.15,-39.66,;53.9,-41,;55.44,-41.01,;56.23,-39.68,;55.47,-38.34,)|

BDBM50502760

C(N1CCN(CC1)[C@H]1CC[C@H](CC1)c1ccccc1)c1cccnc1 |r,wD:10.14,7.7,(41.62,-7.09,;40.08,-7.07,;39.29,-8.4,;37.76,-8.38,;37.01,-7.04,;37.78,-5.71,;39.32,-5.73,;35.48,-7.02,;34.71,-5.68,;33.17,-5.67,;32.42,-7,;33.16,-8.34,;34.69,-8.35,;30.87,-6.99,;30.12,-5.66,;28.58,-5.65,;27.8,-6.98,;28.56,-8.32,;30.11,-8.32,;42.37,-8.43,;43.89,-8.44,;44.65,-9.78,;43.86,-11.11,;42.33,-11.09,;41.57,-9.75,)|

BDBM50434540

C1CO[B-]([NH2+]1)(c1ccccc1)c1ccc(cc1)-c1ccccc1

BDBM50434565

C1CO[B-]([NH2+]1)(c1ccccc1)c1ccccc1

BDBM50434556

C1CS[B-]([NH2+]1)(c1ccccc1)c1ccccc1

BDBM50434562

C1C[C@@H]2CO[B-]([NH+]2C1)(c1ccccc1)c1ccccc1 |r|

BDBM50434563

C1C[C@H]2CO[B-]([NH+]2C1)(c1ccccc1)c1ccccc1 |r|

BDBM50434560

C1C[N+]2(CCNCC2)[B-](O1)(c1ccccc1)c1ccccc1

BDBM50434561

C1C[NH2+][B-](OC1)(c1ccccc1)c1ccccc1

BDBM50434559

C1O[B-](c2ccccc2)(c2ccccc2)[n+]2ccccc12

BDBM50550086

CC(C)(C)[C@@H]1CC[C@@H](CC1)N1CCN(Cc2ccc(=O)[nH]c2)CC1 |r,wU:7.10,4.3,(65.42,-24.82,;65.44,-23.29,;66.77,-22.53,;66.76,-24.05,;64.12,-22.51,;64.13,-20.97,;62.8,-20.18,;61.48,-20.95,;61.46,-22.48,;62.77,-23.27,;60.14,-20.17,;58.8,-20.93,;57.48,-20.16,;57.49,-18.6,;56.16,-17.83,;54.82,-18.6,;53.49,-17.81,;52.17,-18.6,;52.17,-20.14,;50.83,-20.91,;53.49,-20.9,;54.82,-20.14,;58.82,-17.84,;60.15,-18.63,)|

BDBM50459973

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|

BDBM50434541

CCCCc1ccc(cc1)[B-]1([NH2+]CCO1)c1ccccc1

BDBM50550090

COc1cc(CN2CCN(CC2)[C@H]2CC[C@H](CC2)C(C)(C)C)ccc1O |r,wU:12.12,15.19,(24.06,-5.6,;25.4,-4.84,;26.73,-5.61,;28.07,-4.85,;29.4,-5.62,;30.74,-4.86,;32.07,-5.63,;32.06,-7.18,;33.38,-7.96,;34.72,-7.19,;34.73,-5.65,;33.39,-4.87,;36.05,-7.98,;37.38,-7.21,;38.72,-8,;38.7,-9.54,;37.36,-10.29,;36.03,-9.52,;40.03,-10.32,;40.01,-11.86,;41.37,-9.57,;41.36,-11.09,;29.4,-7.15,;28.07,-7.93,;26.73,-7.15,;25.39,-7.92,)|

BDBM50550089

COc1cc(CN2CCN(CC2)[C@H]2CC[C@H](CC2)c2ccccc2)ccc1O |r,wU:12.12,15.19,(46.77,-6.53,;48.11,-5.76,;49.44,-6.54,;50.78,-5.77,;52.11,-6.55,;53.45,-5.79,;54.78,-6.56,;54.77,-8.11,;56.08,-8.88,;57.42,-8.12,;57.43,-6.58,;56.1,-5.8,;58.75,-8.9,;60.09,-8.13,;61.42,-8.93,;61.41,-10.47,;60.06,-11.22,;58.74,-10.44,;62.73,-11.25,;62.71,-12.79,;64.04,-13.57,;65.38,-12.81,;65.39,-11.26,;64.06,-10.49,;52.11,-8.08,;50.78,-8.86,;49.44,-8.08,;48.1,-8.85,)|

BDBM50550088

COc1cc(ccc1O)C(=O)N1CCN(CC1)[C@H]1CC[C@H](CC1)C(C)(C)C |r,wU:17.18,20.25,(4.37,-18.01,;5.71,-17.25,;7.04,-18.02,;8.38,-17.26,;9.71,-18.03,;9.71,-19.57,;8.38,-20.34,;7.04,-19.56,;5.7,-20.33,;11.05,-17.27,;11.06,-15.74,;12.39,-18.04,;12.37,-19.59,;13.69,-20.37,;15.03,-19.6,;15.04,-18.06,;13.71,-17.28,;16.36,-20.39,;17.7,-19.62,;19.03,-20.41,;19.01,-21.95,;17.67,-22.7,;16.35,-21.93,;20.34,-22.73,;20.32,-24.27,;21.68,-21.98,;21.67,-23.51,)|

BDBM50550087

COc1cc(ccc1O)C(=O)N1CCN(CC1)[C@H]1CC[C@H](CC1)c1ccccc1 |r,wU:17.18,20.25,(26.41,-17.33,;27.75,-16.57,;29.08,-17.34,;30.42,-16.58,;31.75,-17.36,;31.75,-18.89,;30.42,-19.66,;29.08,-18.88,;27.74,-19.66,;33.09,-16.59,;33.09,-15.06,;34.42,-17.36,;34.41,-18.91,;35.72,-19.69,;37.07,-18.93,;37.07,-17.39,;35.74,-16.61,;38.4,-19.71,;39.73,-18.94,;41.06,-19.73,;41.05,-21.27,;39.7,-22.03,;38.38,-21.25,;42.37,-22.05,;42.36,-23.6,;43.68,-24.38,;45.02,-23.62,;45.03,-22.07,;43.7,-21.3,)|

BDBM50550083

COc1ccc(CN2CCN(CC2)[C@H]2CC[C@H](CC2)c2ccccc2)cn1 |r,wU:13.13,16.20,(2.29,-42.34,;3.62,-43.11,;4.95,-42.34,;4.95,-40.8,;6.29,-40.03,;7.63,-40.8,;8.96,-40.03,;10.3,-40.81,;10.28,-42.36,;11.61,-43.13,;12.95,-42.38,;12.96,-40.84,;11.62,-40.05,;14.28,-43.15,;15.61,-42.39,;16.94,-43.17,;16.92,-44.72,;15.58,-45.48,;14.26,-44.69,;18.24,-45.5,;18.22,-47.02,;19.54,-47.8,;20.88,-47.05,;20.89,-45.51,;19.57,-44.74,;7.63,-42.34,;6.3,-43.12,)|

BDBM50434546

COc1ccc(cc1)[B-]1([NH2+]CCO1)c1ccc(OC)cc1

BDBM50434552

COc1ccccc1B(O)c1ccccc1OC

BDBM50434551

COc1ccccc1[B-]1([NH2+]CCO1)c1ccccc1OC

BDBM50434564

C[N+]1(C)CCO[B-]1(c1ccccc1)c1ccccc1

BDBM50434554

Cc1ccc(cc1)B(O)c1ccc(C)cc1

BDBM50434553

Cc1ccc(cc1)[B-]1([NH2+]CCO1)c1ccc(C)cc1

BDBM50434542

Cc1ccc(cc1)[B-]1([NH2+]CCO1)c1ccccc1

BDBM50434539

Cc1ccc(s1)[B-]1([NH2+]CCO1)c1ccccc1

BDBM50502759

Cc1cccc(c1)[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1cccnc1 |r,wU:10.14,7.7,(75.17,-12.91,;75.14,-14.45,;76.48,-15.26,;76.44,-16.8,;75.09,-17.54,;73.77,-16.74,;73.79,-15.2,;72.43,-17.48,;71.1,-16.68,;69.74,-17.42,;69.73,-18.96,;71.04,-19.77,;72.39,-19.02,;68.39,-19.71,;68.36,-21.25,;67.02,-22,;65.7,-21.2,;65.7,-19.66,;67.06,-18.91,;64.36,-21.96,;64.35,-23.5,;63.01,-24.26,;61.67,-23.47,;61.69,-21.93,;63.03,-21.17,)|

BDBM50550081

Cc1cccc(c1)[C@@H]1CC[C@@H](CC1)N1CCN(Cc2ccc(=O)[nH]c2)CC1 |r,wU:10.14,7.7,(68.54,-46.75,;67.21,-47.51,;67.2,-49.06,;65.86,-49.81,;64.54,-49.03,;64.56,-47.5,;65.88,-46.74,;63.24,-46.72,;63.25,-45.18,;61.92,-44.39,;60.59,-45.16,;60.57,-46.7,;61.89,-47.48,;59.25,-44.38,;57.91,-45.14,;56.58,-44.36,;56.59,-42.81,;55.26,-42.03,;53.92,-42.8,;52.58,-42.02,;51.26,-42.8,;51.26,-44.35,;49.92,-45.12,;52.58,-45.11,;53.92,-44.35,;57.92,-42.04,;59.26,-42.83,)|

BDBM50434543

Cc1ccccc1[B-]1([NH2+]CCO1)c1ccccc1

BDBM50434549

FC(F)(F)c1ccc(cc1)[B-]1([NH2+]CCO1)c1ccc(cc1)C(F)(F)F

BDBM50550080

FC(F)(F)c1cccc(c1)[C@@H]1CC[C@@H](CC1)N1CCN(Cc2ccc(=O)[nH]c2)CC1 |r,wU:13.17,10.10,(22.93,-9.55,;21.61,-8.77,;21.62,-7.24,;22.93,-7.99,;20.27,-9.53,;20.26,-11.08,;18.92,-11.83,;17.6,-11.05,;17.62,-9.52,;18.95,-8.76,;16.3,-8.74,;16.31,-7.19,;14.98,-6.41,;13.65,-7.17,;13.63,-8.71,;14.95,-9.5,;12.32,-6.39,;10.97,-7.15,;9.64,-6.38,;9.66,-4.83,;8.32,-4.05,;6.98,-4.82,;5.65,-4.03,;4.32,-4.82,;4.32,-6.36,;2.98,-7.13,;5.65,-7.12,;6.98,-6.36,;10.99,-4.06,;12.33,-4.85,)|

BDBM50550079

FC(F)(F)c1ccccc1[C@@H]1CC[C@@H](CC1)N1CCN(Cc2ccc(=O)[nH]c2)CC1 |r,wU:13.17,10.10,(44.63,-6.05,;43.3,-6.82,;41.97,-6.04,;43.28,-5.28,;43.29,-8.35,;44.61,-9.13,;44.6,-10.67,;43.26,-11.43,;41.94,-10.65,;41.96,-9.11,;40.64,-8.33,;40.65,-6.79,;39.32,-6,;37.99,-6.77,;37.98,-8.31,;39.29,-9.09,;36.66,-5.99,;35.31,-6.75,;33.99,-5.98,;34,-4.42,;32.66,-3.64,;31.32,-4.41,;29.99,-3.63,;28.66,-4.41,;28.66,-5.96,;27.33,-6.73,;29.99,-6.72,;31.32,-5.96,;35.33,-3.66,;36.67,-4.44,)|

BDBM50434547

Fc1ccc(cc1)[B-]1([NH2+]CCO1)c1ccc(F)cc1

BDBM50434544

Fc1ccc(cc1)[B-]1([NH2+]CCO1)c1ccccc1

BDBM50434536

Ic1ccc(cc1)[B-]1([NH2+]CCO1)c1ccccc1

BDBM50434555

NCCOC(c1ccccc1)c1ccccc1

BDBM50434534

O(B(c1ccccc1)c1ccccc1)B(c1ccccc1)c1ccccc1

BDBM50550084

O=C(N1CCN(CC1)[C@H]1CC[C@H](CC1)c1ccccc1)c1ccc(=O)[nH]c1 |r,wU:8.8,11.15,(30.41,-27.56,;30.41,-29.09,;31.74,-29.87,;31.72,-31.42,;33.05,-32.19,;34.39,-31.43,;34.4,-29.89,;33.07,-29.1,;35.72,-32.21,;37.05,-31.45,;38.38,-32.23,;38.37,-33.77,;37.02,-34.53,;35.71,-33.75,;39.69,-34.55,;39.67,-36.08,;40.98,-36.86,;42.32,-36.1,;42.33,-34.56,;41.01,-33.79,;29.07,-29.86,;27.74,-29.08,;26.41,-29.86,;26.41,-31.4,;25.08,-32.17,;27.74,-32.16,;29.07,-31.4,)|

BDBM50434558

O=C1C[NH2+][B-](O1)(c1ccccc1)c1ccccc1

BDBM50550085

O=c1ccc(CN2CCN(CC2)[C@H]2CC[C@H](CC2)c2ccccc2)c[nH]1 |r,wU:12.12,15.19,(4.26,-30.95,;5.59,-30.18,;5.59,-28.64,;6.91,-27.85,;8.24,-28.64,;9.58,-27.87,;10.92,-28.64,;10.9,-30.19,;12.23,-30.96,;13.57,-30.21,;13.58,-28.67,;12.24,-27.88,;14.9,-30.98,;16.23,-30.22,;17.56,-31.01,;17.54,-32.55,;16.2,-33.31,;14.88,-32.52,;18.87,-33.33,;18.84,-34.86,;20.16,-35.63,;21.5,-34.88,;21.51,-33.34,;20.19,-32.57,;8.24,-30.18,;6.91,-30.94,)|

BDBM50434548

OB(c1ccc(F)cc1)c1ccc(F)cc1

BDBM50434550

OB(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F

BDBM50434538

OB(c1ccccc1)c1ccc(Cl)cc1

BDBM50434535

OB(c1ccccc1)c1ccc(cc1)C(F)(F)F

BDBM50067889

OB(c1ccccc1)c1ccccc1

BDBM50434545

OB1c2ccccc2CCc2ccccc12

BDBM50434557

OC[C@@H]1[NH2+][B-](OC1=O)(c1ccccc1)c1ccccc1 |r|

BDBM50550078

O[C@]1(CC[C@@H](CC1)N1CCN(Cc2ccc(=O)[nH]c2)CC1)c1cccc(c1)C(F)(F)F |r,wU:4.7,1.23,(66.55,-8.01,;65.22,-8.79,;65.24,-7.25,;63.91,-6.46,;62.58,-7.22,;62.56,-8.77,;63.88,-9.55,;61.24,-6.45,;59.9,-7.21,;58.57,-6.43,;58.58,-4.88,;57.25,-4.1,;55.91,-4.87,;54.57,-4.09,;53.25,-4.87,;53.25,-6.42,;51.91,-7.19,;54.57,-7.18,;55.91,-6.42,;59.91,-4.11,;61.25,-4.9,;66.55,-9.57,;66.53,-11.1,;67.85,-11.88,;69.19,-11.13,;69.2,-9.58,;67.87,-8.81,;70.53,-8.82,;71.86,-9.6,;70.54,-7.29,;71.85,-8.04,)|

BDBM50550077

O[C@]1(CC[C@@H](CC1)N1CCN(Cc2ccc(=O)[nH]c2)CC1)c1ccccc1C(F)(F)F |r,wU:4.7,1.23,(18.72,-20.47,;17.4,-21.24,;17.41,-19.7,;16.08,-18.91,;14.75,-19.68,;14.73,-21.22,;16.05,-22,;13.42,-18.9,;12.07,-19.66,;10.74,-18.89,;10.76,-17.33,;9.42,-16.55,;8.08,-17.32,;6.75,-16.54,;5.42,-17.32,;5.42,-18.87,;4.09,-19.64,;6.75,-19.63,;8.08,-18.87,;12.09,-16.57,;13.43,-17.35,;18.72,-22.03,;18.7,-23.56,;20.02,-24.34,;21.36,-23.58,;21.37,-22.04,;20.05,-21.26,;20.05,-19.73,;21.39,-18.96,;18.73,-18.95,;20.04,-18.19,)|

BDBM50511105

[H][C@@]12C=C(C)CC[C@@]1([H])C(C)(C)Oc1cc(CCC)cc(O)c21 |r,t:2|