157 SMILES Strings for 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3

Compound Name
SMILES String
Clc1ccccc1Cn1nnc2c1nc([nH]c2=O)C1CCN(CC1)C(=O)Cc1cccs1
O=C(Cc1cccs1)N1CCC(CC1)c1nc2n(Cc3ccccc3)nnc2c(=O)[nH]1
O=c1n(CCN2CCOCC2)cnc2c3ccccc3[nH]c12
COC(=O)COc1nc(C)c2COC(C)(C)Cc2c1C#N
CCC(NCc1ccco1)=C1C(=O)NC(=O)N(C2CCCCC2)C1=O |w:10.25|
CCC(NCC1CCCO1)=C1C(=O)NC(=O)N(Cc2ccccc2)C1=O |w:2.2|
COc1ccccc1-c1cc(no1)C(=O)Nc1ccc(F)cc1F
CCc1cccc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2c(C)n[nH]c2C)c1
CCOC(=O)C(\C#N)=C1\C=CN(C)C=N1 |c:9,13|
Oc1ccccc1-c1nn[nH]c1C(=O)NCc1ccccc1
CCOc1ccccc1Nc1nc(N)nc(CN(C)C2CCCCC2)n1
CCOC(=O)CSc1nnc(Cn2c3ccccc3sc2=O)n1-c1ccccc1C |(18.96,3.28,;17.46,3.6,;16.43,2.46,;14.92,2.78,;14.45,4.24,;13.89,1.64,;12.38,1.96,;11.35,.82,;11.67,-.69,;10.33,-1.46,;9.19,-.43,;7.68,-.74,;7.2,-2.21,;5.75,-2.68,;4.41,-1.91,;3.08,-2.68,;3.08,-4.22,;4.41,-4.99,;5.75,-4.22,;7.2,-4.68,;8.1,-3.45,;9.64,-3.45,;9.82,.98,;9.05,2.32,;7.51,2.32,;6.74,3.65,;7.52,4.99,;9.06,4.98,;9.82,3.65,;11.36,3.65,)|
Cn1cc(c2ccccc12)S(=O)(=O)CC(=O)N1CCc2ccccc12
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r|
CCCCNC(=S)NNC(=O)c1csc(C)c1
Cc1ccccc1C(=O)NC1CCN(Cc2nnnn2C2CCCC2)CC1
Cc1c(N2C(=O)c3cccc4cccc(C2=O)c34)c(=O)n(-c2ccccc2)n1C
CC(C)Oc1ccc(cc1)C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1
CCCCNC(=S)NNC(=O)c1csc(CC)c1
COc1ccc(NC(=O)c2sc3cc(cnc3c2-c2cccs2)C(F)(F)F)cc1
FC(F)(F)c1cnc(Oc2ccccc2-c2nnc(o2)-c2ccc(Cl)cc2)c(Cl)c1
Nc1ccc-2c(c1)C(=O)C(=O)c1ccccc-21
[#16]-[#6]-1=[#7]-[#6](=O)\[#6](-[#16]-1)=[#6]-1/[#6]-[#6]-[#6]-[#6]-1 |t:1|
Cc1ccc(cc1)S(=O)(=O)NC1=C(N2CCN(CC2)c2ccccc2F)C(=O)c2ccccc2C1=O |c:12|
OC(=O)c1ccc(cc1)-n1c(n[nH]c1=S)-c1cc([nH]n1)-c1ccco1
CC(N1C(=S)S\C(=C/C=C/c2ccco2)C1=O)C(O)=O
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)Nc1nc(COc2ccccc2)cs1 |TLB:8:6:12:1.11.2,8:1:12:6.9.5,THB:2:1:9:3.12.5|
CC1(CC(=O)N[NH+]=C[c-]2cc([N+]([O-])=O)c(=O)cc2O)OCCO1 |w:6.5|
CCCCn1c2nc(CO)n(CCC)c2c(=O)n(CC(=O)Nc2ccc(OC)c(Cl)c2)c1=O
CC(C)(C)C1CCC(CC1)C(=O)Nc1ccccc1 |(5.75,6.55,;5.75,5.01,;7.29,5.01,;4.21,5.01,;5.75,3.47,;4.41,2.7,;4.41,1.16,;5.75,.39,;7.08,1.16,;7.08,2.7,;5.75,-1.16,;7.08,-1.93,;4.41,-1.93,;4.41,-3.47,;3.08,-4.24,;3.08,-5.78,;4.41,-6.55,;5.75,-5.78,;5.75,-4.24,)|
Fc1ccc(CNC(=O)c2cc3CCCCc3s2)cc1
Cc1ccc(cc1)S(=O)(=O)Cc1nc2ccccc2c(=O)[nH]1
Clc1ccc(cc1)-c1c(cnn1-c1ccccc1)S(=O)(=O)c1ccccc1
Fc1ccc(cc1)-c1c(cnn1-c1ccccc1)S(=O)(=O)c1ccccc1
Clc1cccc(c1)S(=O)CC(=O)Nc1ccccc1Cl
FC(F)(F)c1cccc(c1)S(=O)CC(=O)Nc1ccc(Cl)cc1Cl
ONC(=Nc1ccc(Cl)cc1)c1ccccc1 |w:3.3|
Clc1cc(Cl)cc(NCCC(=O)c2cccs2)c1
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)n1cc(c(n1)C(=O)Nc1ccc(C)cc1)[N+]([O-])=O |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:2:1:9:3.12.5,2:3:9:1.11.8|
Clc1ccc(CC(=N)NOC(=O)c2cccs2)cc1Cl
Fc1cccc(NC(=O)CSCc2ccccc2)c1
CC(=O)Nc1ccc(cc1)-c1csc(NC(=O)C2CN(C(=O)C2)c2ccc3OCCOc3c2)n1
CCCN(CCC)CC(O)Cn1cc(\C=C\C(=O)c2cccs2)c2ccccc12
COC(=O)C1CCCN1C(=O)COc1ccc(Br)cc1Cl
CCc1ccc(\C=C2/Oc3c(ccc(O)c3CN3CCN(CCO)CC3)C2=O)cc1
CC(C)CNC(=S)NNC(=O)c1csc(C)c1
CN(C(=O)COc1ccccc1C(=O)NCCOc1ccccc1)c1ccccc1
Cc1c(NC(=S)NN=CC=Cc2ccc(cc2)[N+]([O-])=O)c(=O)n(-c2ccccc2)n1C |w:7.6,10.10|
COc1ccccc1-n1c(CNCC2CCCO2)nc2ccccc2c1=O |(3.08,-.41,;4.41,-1.18,;4.41,-2.72,;3.08,-3.49,;3.08,-5.03,;4.41,-5.8,;5.75,-5.03,;5.75,-3.49,;7.08,-2.72,;7.08,-1.18,;5.75,-.41,;5.75,1.13,;4.41,1.9,;4.41,3.44,;5.66,4.34,;5.18,5.8,;3.64,5.8,;3.17,4.34,;8.41,-.41,;9.75,-1.18,;11.13,-.36,;12.52,-1.15,;12.52,-2.76,;11.13,-3.55,;9.75,-2.72,;8.41,-3.49,;8.41,-5.03,)|
COCCNCCCOc1ccc(Br)cc1Cl
Oc1ccc(C=NNC(=S)Nc2cccnc2)c(O)c1O |w:6.6|
Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccn1
Cc1ccc(\C=C2\C(=O)c3ccc(cc3C2=O)C(O)=O)o1
OC(=O)CCCN1C(=S)S\C(=C\c2ccco2)C1=O
Cc1cc(NC(=O)c2ccccc2)ncc1NC(=O)c1cccs1
CCCc1nn(C)c2nc(=O)n(C)c(=O)c2n1
CS(=O)(=O)c1nnc([nH]1)-c1ccc(Br)cc1
COc1cccc(c1)C(=O)Nc1ccc(cc1)-n1nncc1C(C)(C)C
OC(=O)c1ccc(NC2=CC(=NS(=O)(=O)c3ccccc3)c3ccccc3C2=O)cc1 |w:11.11,t:8|
COc1cc(NS(=O)(=O)c2ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)cc2)nc(OC)n1
Clc1ccc(cc1)S(=O)(=O)c1cnc2ccccc2n1
O=C1CS(=O)CN1c1ccc(Oc2ccccc2)cc1
Clc1ccc(c(Cl)c1)-n1c(=O)[nH]c2ccccc2c1=O |(3.08,-3.17,;4.41,-2.4,;5.75,-3.17,;7.08,-2.4,;7.08,-.86,;5.75,-.09,;5.75,1.45,;4.41,-.86,;8.41,-.09,;8.41,1.45,;7.08,2.22,;9.75,2.22,;11.08,1.45,;12.46,2.27,;13.85,1.48,;13.85,-.12,;12.46,-.92,;11.08,-.09,;9.75,-.86,;9.75,-2.4,)|
OC(=O)c1cccc(c1)N=Nc1ccc(O)c(C=O)c1 |w:9.9|
[O-][N+](=O)c1ccc(C=CC=C2SC(S)=NC2=O)o1 |w:7.6,9.8,c:13|
Oc1cccc(c1)C(=O)N\N=C\c1ccc(OC(=O)c2ccccc2)cc1
OC(=O)c1cccc(c1)-n1cccc1C=C1NC(=O)N(C1=O)c1ccc(Cl)cc1 |w:14.15|
Oc1ccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1 |w:9.9,t:6|
Oc1csc(=S)n1NC(=O)C(=O)Nn1c(O)csc1=S
Nc1cc(cc(c1O)[N+]([O-])=O)S(O)(=O)=O
Oc1ccc(cc1)N1C(=S)S\C(=C/C=C/c2ccco2)C1=O
OC(=O)CCCN1C(=S)S\C(=C/C=C/c2ccco2)C1=O
OC(=O)CC(N1C(=S)S\C(=C/C=C/c2ccco2)C1=O)C(O)=O
O=C(Nc1cccc2ccccc12)c1ccccc1
Fc1ccc(cc1)-c1cc(cc(n1)-c1ccccc1)-c1cccs1
CSc1nc(N)c(s1)C(=O)NC1CCCCC1
[O-][N+](=O)c1ccc(Sc2ncccn2)c(c1)[N+]([O-])=O
Oc1cc2cccc(=O)c(O)c2c(O)c1O
Oc1cc2c(c(O)c1O)c1oc(=O)c(O)cc1oc2=O
O=C1N(C(=S)S\C1=C/c1ccco1)c1cccnc1
NS(=O)(=O)c1ccc(N=[NH+]Cc2ccc([O-])cc2O)c(c1)[N+]([O-])=O |w:8.7|
OC(=O)c1cccc(c1)-c1ccc(\C=c2\sc3nc4ccccc4n3c2=O)o1
OC(=O)c1cccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccco3)C2=O)c1
NC(=O)C(=C\c1cc(O)c(O)c(O)c1)\C#N
CC(C)(C)c1cc(C(=O)NNC(=O)Nc2ccccc2)n(Cc2ccccc2)n1
O=C(COC(=O)c1ccccc1C(=O)OCC(=O)NCCc1c[nH]c2ccccc12)NCCc1c[nH]c2ccccc12
Oc1cc(O)c2C(=O)CC(=O)C(=O)c2c1O
COc1cc(cc(OC)c1OC)C(=O)Nc1ccc2C(=O)N(CCC(O)=O)C(=O)c2c1
Cc1c(cnc(Sc2ccccc2)c1[N+]([O-])=O)[N+]([O-])=O
COc1cc(Cl)cc(C(c2c([nH]c3ccccc23)C(O)=O)c2c([nH]c3ccccc23)C(O)=O)c1O
CCOc1cc(Br)cc(C(c2c([nH]c3ccccc23)C(O)=O)c2c([nH]c3ccccc23)C(O)=O)c1O
OC(=O)c1[nH]c2ccccc2c1C(c1c([nH]c2ccccc12)C(O)=O)c1cc(Cl)cc(c1O)[N+]([O-])=O
Oc1ccc(cc1C=O)N=Nc1ccc(cc1)S([O-])(=O)=O |w:10.11|
COC(=O)c1cc(C)nc2C(=CC(=O)C(=O)c12)N1CCOCC1 |c:10|
CC1=C(N2C(SC1)C(NC(=O)Cc1ccccc1)C2=O)C(=O)OCc1ccc(cc1)[N+]([O-])=O |t:1|
CCOc1cccc(c1)C(=O)Nc1ccc(NC(=O)c2ccccc2)c(C)c1
COc1ccc(CS(=O)(=O)c2nnc[nH]2)cc1
OC(=O)c1cccc(NC(=S)NC(=O)C=Cc2ccco2)c1 |w:15.15|
CN(C1C(CO)COc2ccc3ccccc3c12)C(=O)c1ccccc1
O=C1CS(=O)(=O)c2ccccc2N1
OC(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccco2)cc1 |w:14.14|
[H]C12CC3([H])CC(C1)(CC(C2)(C3)c1ccc(C)cc1)C(=O)NCC(O)=O |TLB:5:3:10:6.8.7,THB:5:6:10:3.11.2,2:3:8:1.10.7,19:6:10:3.11.2|
COC(=O)C(Cc1ccc(O)cc1)NC(=O)C(C)NC(=O)c1ccc(cc1)C(C)(C)C
COc1ccnc2n(C)c(=O)n(Cc3ccc(Cl)cc3Cl)c(=O)c12
Fc1ccccc1CNC(=O)CN1CCC(CC1)NC(=O)c1ccccc1
OC(=O)c1ccc(NC(=O)CCN2C(=S)S\C(=C\c3ccco3)C2=O)cc1O
NC(=O)CC(NC(=O)Cc1cccc2ccccc12)c1ccc(N2CCCCCC2)c(c1)[N+]([O-])=O
COc1ccc(CCNCc2c(OC)ccc3ccccc23)cc1
Cc1cc(NC(=O)c2ccc3OCOc3c2)ccc1NC(=O)c1ccccc1
Cc1ccc(cc1)S(=O)(=O)CCC(=O)Nc1nc(cs1)-c1ccncc1
[O-][N+](=O)c1ccc2[nH]cc(c2c1)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
Cc1ccccc1NC1=CC(=NS(=O)(=O)c2ccc(cc2)C(O)=O)c2ccccc2C1=O |w:11.12,t:9|
OC(=O)c1cc(NC(=O)CN2C(=S)S\C(=C/c3ccco3)C2=O)ccc1O
CC(N1C(=S)S\C(=C/c2ccco2)C1=O)C(=O)Nc1ccc(O)c(c1)C(O)=O
OC(=O)c1cc(O)ccc1NC(=O)CCCN1C(=S)S\C(=C\c2ccco2)C1=O
OC(=O)c1ccc(NC(=O)CN2C(=S)S\C(=C/c3ccco3)C2=O)cc1O
CC(C)c1ccccc1NC(=O)Nc1ccc2OCOc2c1
CCn1c2nc(C)n(CC(=O)Nc3cccc(Cl)c3)c(=O)c2sc1=S
O=C1C(=O)c2ccccc2-c2ccccc12
Nc1ncnc2n(cnc12)C1OC(COP(O)([O-])=O)C(O)C1O
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
COc1ccc(NC(=O)c2cc(on2)-c2ccc(OC)c(OC)c2)cc1OC
CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(C(=O)c4c(O)cccc4C3=C)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
COc1ccc(CCN(C)C(=O)CN2C(=O)NC3(CCCc4ccccc34)C2=O)cc1OC
Fc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)N1CCCC(C1)C(F)(F)F
COc1cc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc(I)c1O
COc1ccccc1COC(=O)c1cccc(c1)S(=O)(=O)N1CCCC1
Oc1ccc2c(-c3ccccc3S(O)(=O)=O)c3ccc(=O)c(O)c3oc2c1O |(5.36,3.71,;6.7,2.94,;6.69,1.4,;8.03,.63,;9.35,1.4,;10.69,.62,;10.68,-.91,;9.35,-1.67,;9.34,-3.21,;10.67,-3.98,;12.01,-3.21,;12.01,-1.67,;13.34,-.9,;14.66,-.12,;14.12,-2.23,;12.56,.43,;12.03,1.39,;13.37,.61,;14.72,1.38,;14.73,2.94,;16.06,3.7,;13.38,3.72,;13.38,5.26,;12.04,2.95,;10.69,3.73,;9.36,2.95,;8.02,3.71,;8.02,5.25,)|
FC(F)(F)c1nc2cccc3cccc([nH]1)c23
Cc1cc(OCC(=O)OCC(=O)NCc2ccc3OCOc3c2)ccc1Cl
CCN(C(=O)COC(=O)c1ccc(C=O)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OCC(=O)O)/c3csc(n3)N)SC1)C(=O)O
COc1ccc(CCNC(=O)CC2S\C(=N\C)N(C)C2=O)cc1OC
NC1=C(Cl)C(=O)c2ccc(cc2C1=O)S(N)(=O)=O |c:1|
Oc1ccc(N=Nc2cc(Cl)cc(c2O)S(O)(=O)=O)c(O)c1 |w:6.6|
I\[#6](I)=[#6]-1/[#6](=O)-c2ccccc2-c2ccccc-12
CCOC(=O)c1c(C)n(Cc2ccccc2)c2c1-c1ccccc1C(=O)C2=O
[H][C@]1(c2cccc(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2C(=O)c2c(O)cc(cc12)C(O)=O)[C@]1([H])c2cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2C(=O)c2c(O)cc(cc12)C(O)=O
OC(=O)c1cccc2cccc(-c3c4ccc(O)c(O)c4oc4c(O)c(=O)ccc34)c12 |(4.7,1.65,;6.16,1.41,;6.69,.02,;7.1,2.55,;6.56,3.99,;7.55,5.17,;9.07,4.89,;9.57,3.44,;11.03,3.18,;11.53,1.79,;10.58,.66,;9.13,.92,;8.18,-.22,;9.46,-.96,;10.78,-.17,;12.12,-.93,;12.12,-2.47,;13.4,-3.21,;10.78,-3.23,;10.76,-4.7,;9.46,-2.44,;8.18,-3.17,;6.9,-2.44,;5.57,-3.23,;5.59,-4.7,;4.23,-2.47,;2.96,-3.21,;4.23,-.93,;5.57,-.17,;6.9,-.96,;8.62,2.3,)|
COC(=O)C(C)(C)c1cccnc1C#N
O=C1C(=O)c2cccnc2-c2ncccc12
Brc1ccccc1S(=O)(=O)CS(=O)(=O)c1ccccc1Br
Brc1ccc(cc1)S(=O)(=O)CS(=O)(=O)c1ccc(Br)cc1
CCC(N1CCC(CC1)n1c2ccccc2[nH]c1=O)c1nnnn1C1CCCCC1
Oc1ccc(C[C@@H]2CNC(=O)C(=O)N2CCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
CC(C)(C)c1ccc(CNc2nc(nnc2-c2ccccc2)-c2ccccn2)cc1
Cc1ccc(OCCn2c(CCNC(=O)C3CCCCCC3)nc3ccccc23)cc1
COC(=O)C([C@@H]1CN([C@@H](C=C1)C(=O)NS(=O)(=O)c1ccc(C)cc1)C(C)=O)C(=O)OC |c:9|
CC[C@@H]1CN([C@@H](C=C1)C(=O)NS(=O)(=O)c1ccc(C)cc1)C(C)=O |c:6|
CC(=O)N1C[C@H](C=C[C@H]1C(=O)NS(=O)(=O)c1ccc(C)cc1)c1c[nH]c2ccccc12 |c:6|
CN1[C@H]2CC[C@H](CC(=O)NCC(F)(F)F)O[C@@H]2COc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O
COC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4cccc(F)c4)cc3C(=O)N2C)O1
CCNC(=O)Nc1ccc2OC[C@H]3O[C@@H](CC(=O)N[C@H](C)c4ccccc4)CC[C@@H]3N(C)C(=O)c2c1
CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4ccc5OCOc5c4)cc3C(=O)N2C)O1
CN1[C@H]2CC[C@H](CC(=O)NCc3ccc(cc3)-c3ccccc3)O[C@@H]2COc2ccc(NC(=O)Nc3ccccc3F)cc2C1=O
O=C(CCc1ccccc1)N[C@H]1[C@H](CCC[C@@]11C(=O)N(Cc2ccccc2)c2ccccc12)OC(=O)c1cnccn1
CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4cncs4)cc3C(=O)N2C)O1