SMILES for Aquaporin-1

14 SMILES Strings for Aquaporin-1

Compound Name

SMILES String

Nc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12 |wU:6.5,wD:9.9,(2.92,.42,;2.94,-1.13,;4.28,-1.89,;4.29,-3.44,;5.63,-4.22,;6.96,-3.45,;8.29,-4.21,;9.63,-3.44,;10.96,-4.22,;10.95,-5.76,;12.28,-6.54,;13.77,-6.13,;14.86,-7.21,;13.98,-8.47,;15.7,-5.91,;16.12,-8.05,;17.24,-7,;18.73,-7.45,;19.09,-8.94,;17.97,-9.99,;18.33,-11.48,;17.22,-12.56,;15.73,-12.11,;15.38,-10.62,;16.49,-9.56,;9.62,-6.51,;8.29,-5.75,;2.95,-4.23,;1.61,-3.45,;.26,-4.23,;-1.07,-3.46,;-1.07,-1.9,;.26,-1.13,;1.61,-1.9,)|

BDBM50354083

Nc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)CC2)nc2ccccc12 |r,wU:9.9,wD:6.5,(22.1,-1.37,;22.11,-2.91,;23.44,-3.67,;23.45,-5.22,;24.79,-5.98,;26.12,-5.21,;27.46,-5.97,;27.46,-7.51,;28.79,-8.28,;30.12,-7.51,;31.45,-8.29,;32.79,-7.52,;34.12,-8.29,;33.35,-9.62,;34.89,-9.63,;35.45,-7.52,;35.45,-5.99,;36.78,-5.22,;38.12,-5.99,;39.45,-5.22,;40.78,-5.99,;40.78,-7.53,;39.45,-8.3,;38.12,-7.53,;36.79,-8.3,;30.12,-5.97,;28.79,-5.2,;22.12,-5.99,;20.78,-5.22,;19.45,-6,;18.11,-5.23,;18.11,-3.69,;19.44,-2.92,;20.78,-3.68,)|

BDBM178091

Nc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4c(Cl)cccc34)CC2)nc2ccccc12 |r,wU:9.9,wD:6.5,(-.85,-.5,;-.85,1.04,;.48,1.81,;.48,3.35,;1.81,4.12,;3.15,3.35,;4.48,4.12,;5.82,3.35,;7.15,4.12,;7.15,5.66,;8.48,6.43,;9.82,5.66,;11.15,6.43,;9.82,7.2,;12.48,5.66,;11.15,7.97,;9.82,8.74,;9.82,10.28,;11.15,11.05,;12.48,10.28,;13.82,11.05,;13.82,12.59,;15.15,10.28,;15.15,8.74,;13.82,7.97,;12.48,8.74,;5.82,6.43,;4.48,5.66,;-.85,4.12,;-2.19,3.35,;-3.52,4.12,;-4.85,3.35,;-4.85,1.81,;-3.52,1.04,;-2.19,1.81,)|

BDBM178092

CNCC1Cc2cc(F)cc(c2O1)-c1ccc(Cl)cc1Cl

BDBM178093

NCC1Cc2cc(F)cc(c2O1)-c1ccc(Cl)cc1Cl

BDBM178094

CNCC1Cc2cc(F)cc(c2O1)-c1c(Cl)cccc1Cl |(12.06,10.63,;10.52,10.63,;9.75,9.29,;8.21,9.29,;7.31,10.54,;5.84,10.07,;4.51,10.84,;3.18,10.07,;1.84,10.84,;3.18,8.53,;4.51,7.75,;5.84,8.53,;7.31,8.05,;4.51,6.21,;3.18,5.44,;1.84,6.21,;3.18,3.9,;4.51,3.13,;5.84,3.9,;5.84,5.44,;7.18,6.21,)|

BDBM50607938

CCCCNc1cc(cc(c1Oc1ccccc1)S(N)(=O)=O)C(=O)Nc1ccncc1

BDBM50607939

S=C(NCc1ccc2OCOc2c1)Nc1ccc2nsnc2c1

BDBM50607940

C\C(=C/C(O)=O)\C(=C\c1ccc2ccccc2n1)\C(O)=O

BDBM50607941

COC(=O)c1cc(c(Cl)cc1NCc1ccco1)S(=O)(=O)NCc1ccccc1

BDBM50166561

Nc1nc(NCC2CCC(CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12 |(-3.12,3.75,;-3.12,2.21,;-1.77,1.44,;-1.75,-.12,;-.44,-.89,;.91,-.12,;2.24,-.9,;3.57,-.12,;4.91,-.91,;4.89,-2.45,;6.22,-3.23,;7.57,-2.46,;8.9,-3.25,;9.65,-1.9,;7.79,-4.33,;10.21,-4.05,;11.56,-3.32,;12.87,-4.12,;12.83,-5.66,;11.48,-6.4,;11.43,-7.93,;10.09,-8.67,;8.77,-7.86,;8.81,-6.31,;10.17,-5.59,;3.56,-3.21,;2.23,-2.44,;-3.1,-.9,;-4.45,-.12,;-5.78,-.9,;-7.12,-.12,;-7.12,1.42,;-5.78,2.19,;-4.45,1.42,)|

BDBM50607942

Nc1nc(NCC2CCC(CNS(=O)(=O)c3cccc4c(Cl)cccc34)CC2)nc2ccccc12 |(-10.66,-.4,;-9.33,.37,;-7.99,-.39,;-6.66,.38,;-5.33,-.39,;-4,.38,;-2.66,-.39,;-1.33,.38,;0,-.39,;0,-1.93,;1.34,-2.7,;2.67,-1.93,;4.01,-2.7,;3.23,-4.04,;4.78,-4.04,;5.34,-1.93,;5.34,-.39,;6.67,.37,;8,-.4,;8.01,-1.93,;9.34,-2.69,;10.67,-1.92,;9.35,-4.23,;8.03,-5,;6.69,-4.25,;6.68,-2.71,;-1.33,-2.7,;-2.66,-1.93,;-6.67,1.92,;-8,2.68,;-8,4.23,;-9.33,5,;-10.67,4.23,;-10.67,2.68,;-9.33,1.91,)|

BDBM94509

CN(C)CCOC1(Cc2ccc(F)cc2)CCC(CC1)C(C)(C)C |(.83,11.12,;1.6,9.78,;.83,8.45,;3.14,9.78,;3.91,8.45,;5.45,8.45,;6.22,7.11,;6.99,8.45,;8.53,8.45,;9.3,7.11,;10.84,7.11,;11.61,8.45,;13.15,8.45,;10.84,9.78,;9.3,9.78,;7.55,6.34,;7.55,4.8,;6.22,4.03,;4.88,4.8,;4.88,6.34,;6.22,2.49,;6.22,.95,;4.68,2.49,;7.76,2.49,)|

BDBM50607943

CCN1CCC(O)(\C=C\c2ccc(C)cc2)C(C1)C(=O)\C=C\c1ccc(C)cc1