Compound Name

SMILES String

CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(nc3ccccc23)N2CCC(CCN3CC(O)C3)CC2)CC1 |r,wU:9.8,wD:12.12,(30.79,-33.91,;32.12,-33.14,;32.12,-31.6,;30.78,-32.37,;33.46,-33.9,;34.79,-33.13,;34.79,-31.59,;36.13,-33.9,;36.13,-35.44,;37.47,-36.2,;38.8,-35.43,;40.12,-36.2,;40.12,-37.74,;41.46,-38.51,;41.46,-40.05,;42.79,-40.83,;44.12,-40.06,;42.79,-42.37,;44.12,-43.13,;44.12,-44.66,;42.78,-45.44,;41.45,-44.67,;40.12,-45.43,;38.8,-44.66,;38.8,-43.12,;40.13,-42.36,;41.46,-43.13,;45.45,-45.43,;45.45,-46.97,;46.78,-47.74,;48.12,-46.97,;49.45,-47.73,;50.78,-46.96,;52.12,-47.72,;52.52,-49.2,;54.01,-48.8,;55.35,-49.57,;53.61,-47.31,;48.11,-45.42,;46.77,-44.66,;38.8,-38.51,;37.47,-37.74,)|

CC(C)Oc1ccc(Oc2ccc(CC[C@H](C)NC(C)=O)cc2)cn1 |r|

CC(C)Oc1ccc(Oc2ccc(OC[C@H](C)NC(C)=O)cc2)cc1 |r|

CCC(Sc1nc(cc(-c2ccc(OC)cc2)c1C#N)-c1cccs1)C(O)=O

CCc1cc(C)cc(CC)c1C1C(=O)N2CCOCCN2C1=O

CCc1nc(SC(C(O)=O)c2ccccc2)c(C#N)c2CCCCc12

CN(C)CCC1CCN(CC1)c1cc(C(=O)NC[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)c2ccccc2n1 |r,wU:21.22,wD:18.18,(43.4,-32.84,;43.39,-31.3,;44.72,-30.52,;42.06,-30.53,;42.05,-28.99,;40.71,-28.23,;39.38,-29,;38.05,-28.23,;38.04,-26.69,;39.37,-25.92,;40.71,-26.68,;36.72,-25.92,;36.71,-24.39,;35.38,-23.63,;35.38,-22.09,;36.72,-21.32,;34.05,-21.31,;34.05,-19.77,;32.72,-19,;32.72,-17.46,;31.39,-16.68,;30.06,-17.46,;28.73,-16.7,;28.72,-15.15,;27.38,-14.39,;27.38,-12.85,;26.05,-15.16,;24.72,-14.4,;23.38,-15.17,;24.71,-12.86,;23.38,-13.62,;30.06,-19,;31.39,-19.77,;34.05,-24.39,;32.73,-23.62,;31.4,-24.38,;31.4,-25.92,;32.72,-26.69,;34.04,-25.93,;35.38,-26.7,)|

CN1CCCc2c1nc(SC(C(O)=O)c1ccccc1)c(C#N)c2-c1cccs1

CO[C@@H]1[C@@H](O)[C@H](C)[C@H]2O[C@]1(O)[C@H](C)C(=O)O[C@@H](CCCC[C@H](OC)[C@H](OC)\C=C\[C@@H]2C)c1ccccc1 |r,t:28|

COc1ccc(c(OC)c1)-c1cc(c(C#N)c(SC(C(O)=O)c2ccccc2)n1)C(F)(F)F

COc1ccc(cc1)-c1c2CCCCc2nc(SC(C(O)=O)c2ccccc2)c1C#N

COc1ccc(cc1)-c1cc(SC(C(O)=O)c2ccccc2)nc(c1)-c1cccs1

COc1ccc(cc1)-c1cc(nc(OC(C(O)=O)c2ccccc2)c1C#N)-c1cccs1=O

COc1ccc(cc1)-c1cc(nc(SC(C(=O)NO)c2ccccc2)c1C#N)-c1cccs1

COc1ccc(cc1)-c1cc(nc(SC(C(N)=O)c2ccccc2)c1C#N)-c1cccs1

COc1ccc(cc1)-c1cc(nc(SC(C(O)=O)c2ccccc2)c1C#N)-c1ccco1

COc1ccc(cc1)-c1cc(nc(SC(C(O)=O)c2ccccc2)c1C#N)-c1cccs1

COc1ccc(cc1)-c1cc(nc(SC(CO)c2ccccc2)c1C#N)-c1cccs1

COc1ccc(cc1)-c1cc(nc(S[C@@H](C(O)=O)c2ccccc2)c1C#N)-c1cccs1 |r|

COc1ccc(cc1)-c1cc(nc(S[C@H](C(O)=O)c2ccccc2)c1C#N)-c1cccs1 |r|

COc1ccc(cc1OC)-c1cc(c(C#N)c(SC(C(O)=O)c2ccccc2)n1)C(F)(F)F

Cc1cc(c(C#N)c(SC(C(O)=O)c2ccccc2)n1)C(F)(F)F

Cc1ccc(cc1)-c1cc(nc(SC(C(O)=O)c2ccccc2)c1C#N)-c1cccs1

Cc1sc(nc1C1C(=O)CC2(CCCCC2)C1=O)-c1ccc(Cl)cc1

NC(=O)C(Sc1nc2CCCCc2c(-c2cccs2)c1C#N)c1ccccc1

O=C([C@@H]1CCCN(C1)C1CCN(CC1)C(=O)c1c2ccccc2cc2ccccc12)N1CCOCC1 |r|

OC(=O)C(Oc1nc2CCCCc2c(-c2cccs2)c1C#N)c1ccccc1

OC(=O)C(Sc1nc(-c2cccs2)c2CCCCc2c1C#N)c1ccccc1

OC(=O)C(Sc1nc(cc(-c2ccc(Br)cc2)c1C#N)-c1cccs1)c1ccccc1

OC(=O)C(Sc1nc(cc(-c2ccc(Cl)cc2)c1C#N)-c1cccs1)c1ccccc1

OC(=O)C(Sc1nc(cc(-c2ccc(F)cc2)c1C#N)-c1cccs1)c1ccccc1

OC(=O)C(Sc1nc(cc(-c2ccccc2)c1C#N)-c1ccccc1)c1ccccc1

OC(=O)C(Sc1nc(cc(-c2ccccc2)c1C#N)-c1cccs1)c1ccccc1

OC(=O)C(Sc1nc(cc(-c2ccco2)c1C#N)-c1ccco1)c1ccccc1

OC(=O)C(Sc1nc(cc(-c2cccs2)c1C#N)-c1ccco1)c1ccccc1

OC(=O)C(Sc1nc(cc(-c2cccs2)c1C#N)-c1cccs1)c1ccccc1

OC(=O)C(Sc1nc(cc(c1C#N)C(F)(F)F)-c1ccc(Br)cc1)c1ccccc1

OC(=O)C(Sc1nc(cc(c1C#N)C(F)(F)F)-c1ccco1)c1ccccc1

OC(=O)C(Sc1nc(cc(c1C#N)C(F)(F)F)-c1cccs1)c1ccccc1

OC(=O)C(Sc1nc2CCCCc2c(-c2ccc(Cl)cc2)c1C#N)c1ccccc1

OC(=O)C(Sc1nc2CCCCc2c(-c2ccccc2)c1C#N)c1ccccc1

OC(=O)C(Sc1nc2CCCCc2c(-c2cccs2)c1C#N)c1ccccc1

OC(=O)[C@@H](Sc1nc(cc(-c2cccs2)c1C#N)-c1cccs1)c1ccccc1 |r|

OC(=O)[C@@H](Sc1nc(cc(c1C#N)C(F)(F)F)-c1cccs1)c1ccccc1 |r|

OC(=O)[C@H](Sc1nc(cc(-c2cccs2)c1C#N)-c1cccs1)c1ccccc1 |r|

OC(=O)[C@H](Sc1nc(cc(c1C#N)C(F)(F)F)-c1cccs1)c1ccccc1 |r|

OCC(Sc1nc(cc(-c2ccco2)c1C#N)-c1cccs1)c1ccccc1

OCC(Sc1nc2CCCCc2c(-c2cccs2)c1C#N)c1ccccc1