![E3C E3C](https://data.pdbj.org/pdbjplus/data/cc/svg/E3C.svg) | E3C | Name: | 3-ethyl, cytidine-5'-monophosphate | Formula: | C11 H20 N3 O8 P | SMILES: | CCN1[CH](N)C=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C1=O | InChi: | InChI=1S/C11H20N3O8P/c1-2-13-7(12)3-4-14(11(13)17)10-9(16)8(15)6(22-10)5-21-23(18,19)20/h3-4,6-10,15-16H,2,5,12H2,1H3,(H2,18,19,20)/t6-,7?,8-,9-,10-/m1/s1 | Definition date: | 2017-09-25 | Last modified: | 2019-05-02 | Release date: | 2018-01-24 | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-3-ethyl-2-oxidanylidene-4~{H}-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
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![B8W B8W](https://data.pdbj.org/pdbjplus/data/cc/svg/B8W.svg) | B8W | Name: | 6-methyl, guanosine-5'-monophosphate | Formula: | C11 H16 N5 O8 P | SMILES: | COc1nc(N)nc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O | InChi: | InChI=1S/C11H16N5O8P/c1-22-9-5-8(14-11(12)15-9)16(3-13-5)10-7(18)6(17)4(24-10)2-23-25(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1 | Definition date: | 2017-09-25 | Last modified: | 2019-04-30 | Release date: | 2018-01-24 | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-methoxy-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
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![I4U I4U](https://data.pdbj.org/pdbjplus/data/cc/svg/I4U.svg) | I4U | Name: | 4-isopropyl, uridine-5'-monophosphate | Formula: | C12 H19 N2 O9 P | SMILES: | CC(C)OC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O | InChi: | InChI=1S/C12H19N2O9P/c1-6(2)22-8-3-4-14(12(17)13-8)11-10(16)9(15)7(23-11)5-21-24(18,19)20/h3-4,6-7,9-11,15-16H,5H2,1-2H3,(H2,18,19,20)/t7-,9-,10-,11-/m1/s1 | Definition date: | 2017-09-25 | Last modified: | 2019-04-29 | Release date: | 2018-01-24 | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(2-oxidanylidene-4-propan-2-yloxy-pyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate |
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![47C 47C](https://data.pdbj.org/pdbjplus/data/cc/svg/47C.svg) | 47C | Name: | 2'-DEOXY-N-(PROP-2-EN-1-YLOXY)CYTIDINE 5'-(DIHYDROGEN PHOSPHATE) | Formula: | C12 H18 N3 O8 P | SMILES: | O=C1N=C(NOC/C=C)C=CN1C2OC(C(O)C2)COP(=O)(O)O | InChi: | InChI=1S/C12H18N3O8P/c1-2-5-21-14-10-3-4-15(12(17)13-10)11-6-8(16)9(23-11)7-22-24(18,19)20/h2-4,8-9,11,16H,1,5-7H2,(H,13,14,17)(H2,18,19,20)/t8-,9+,11+/m0/s1 | Definition date: | 2010-08-10 | Last modified: | 2019-04-29 | Identifier: | 2'-deoxy-N-(prop-2-en-1-yloxy)cytidine 5'-(dihydrogen phosphate) |
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![B8Q B8Q](https://data.pdbj.org/pdbjplus/data/cc/svg/B8Q.svg) | B8Q | Name: | 3-methyl, cytidine-5'-monophosphate | Formula: | C10 H18 N3 O8 P | SMILES: | CN1[CH](N)C=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C1=O | InChi: | InChI=1S/C10H18N3O8P/c1-12-6(11)2-3-13(10(12)16)9-8(15)7(14)5(21-9)4-20-22(17,18)19/h2-3,5-9,14-15H,4,11H2,1H3,(H2,17,18,19)/t5-,6+,7-,8-,9-/m1/s1 | Definition date: | 2017-09-25 | Last modified: | 2019-04-29 | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-3-methyl-2-oxidanylidene-4~{H}-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
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![B9B B9B](https://data.pdbj.org/pdbjplus/data/cc/svg/B9B.svg) | B9B | Name: | 6-propyl, guanosine-5'-monophosphate | Formula: | C13 H20 N5 O8 P | SMILES: | CCCOc1nc(N)nc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O | InChi: | InChI=1S/C13H20N5O8P/c1-2-3-24-11-7-10(16-13(14)17-11)18(5-15-7)12-9(20)8(19)6(26-12)4-25-27(21,22)23/h5-6,8-9,12,19-20H,2-4H2,1H3,(H2,14,16,17)(H2,21,22,23)/t6-,8-,9-,12-/m1/s1 | Definition date: | 2017-09-25 | Last modified: | 2019-04-29 | Release date: | 2018-01-24 | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-propoxy-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
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![P4U P4U](https://data.pdbj.org/pdbjplus/data/cc/svg/P4U.svg) | P4U | Name: | 4-propyl, uridine-5'-monophosphate | Formula: | C12 H19 N2 O9 P | SMILES: | CCCOC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O | InChi: | InChI=1S/C12H19N2O9P/c1-2-5-21-8-3-4-14(12(17)13-8)11-10(16)9(15)7(23-11)6-22-24(18,19)20/h3-4,7,9-11,15-16H,2,5-6H2,1H3,(H2,18,19,20)/t7-,9-,10-,11-/m1/s1 | Definition date: | 2017-09-25 | Last modified: | 2019-04-29 | Release date: | 2018-01-24 | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(2-oxidanylidene-4-propoxy-pyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate |
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![P7G P7G](https://data.pdbj.org/pdbjplus/data/cc/svg/P7G.svg) | P7G | Name: | 7-propyl, guanosine-5'-monophosphate | Formula: | C13 H22 N5 O8 P | SMILES: | CCCN1CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C3=C1C(=O)N=C(N)N3 | InChi: | InChI=1S/C13H22N5O8P/c1-2-3-17-5-18(10-7(17)11(21)16-13(14)15-10)12-9(20)8(19)6(26-12)4-25-27(22,23)24/h6,8-9,12,19-20H,2-5H2,1H3,(H2,22,23,24)(H3,14,15,16,21)/t6-,8-,9-,12-/m1/s1 | Definition date: | 2017-09-25 | Last modified: | 2019-04-29 | Release date: | 2018-01-24 | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-7-propyl-3,8-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
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![E6G E6G](https://data.pdbj.org/pdbjplus/data/cc/svg/E6G.svg) | E6G | Name: | 6-ethyl, guanosine-5'-monophosphate | Formula: | C12 H18 N5 O8 P | SMILES: | CCOc1nc(N)nc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O | InChi: | InChI=1S/C12H18N5O8P/c1-2-23-10-6-9(15-12(13)16-10)17(4-14-6)11-8(19)7(18)5(25-11)3-24-26(20,21)22/h4-5,7-8,11,18-19H,2-3H2,1H3,(H2,13,15,16)(H2,20,21,22)/t5-,7-,8-,11-/m1/s1 | Definition date: | 2017-09-25 | Last modified: | 2019-04-29 | Release date: | 2018-01-24 | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-ethoxy-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
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![E7G E7G](https://data.pdbj.org/pdbjplus/data/cc/svg/E7G.svg) | E7G | Name: | 7-ethyl, guanosine-5'-monophosphate | Formula: | C12 H20 N5 O8 P | SMILES: | CCN1CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C3=C1C(=O)NC(=N3)N | InChi: | InChI=1S/C12H20N5O8P/c1-2-16-4-17(9-6(16)10(20)15-12(13)14-9)11-8(19)7(18)5(25-11)3-24-26(21,22)23/h5,7-8,11,18-19H,2-4H2,1H3,(H2,21,22,23)(H3,13,14,15,20)/t5-,7-,8-,11-/m1/s1 | Definition date: | 2017-09-25 | Last modified: | 2019-04-29 | Release date: | 2018-01-24 | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-ethyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
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![HKJ HKJ](https://data.pdbj.org/pdbjplus/data/cc/svg/HKJ.svg) | HKJ | Name: | N-[(1S)-1-(5-fluoropyridin-2-yl)ethyl]-1-(5-methyl-1H-pyrazol-3-yl)-3-[(oxetan-3-yl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-6-amine | Formula: | C21 H21 F N6 O3 S | SMILES: | c2(NC(c1ccc(cn1)F)C)ccc3c(n2)n(cc3S(C4COC4)(=O)=O)c5cc(C)nn5 | InChi: | InChI=1S/C21H21FN6O3S/c1-12-7-20(27-26-12)28-9-18(32(29,30)15-10-31-11-15)16-4-6-19(25-21(16)28)24-13(2)17-5-3-14(22)8-23-17/h3-9,13,15H,10-11H2,1-2H3,(H,24,25)(H,26,27)/t13-/m0/s1 | Definition date: | 2018-07-09 | Last modified: | 2019-04-26 | Release date: | 2019-05-01 | Identifier: | N-[(1S)-1-(5-fluoropyridin-2-yl)ethyl]-1-(5-methyl-1H-pyrazol-3-yl)-3-[(oxetan-3-yl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-6-amine |
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![L4Y L4Y](https://data.pdbj.org/pdbjplus/data/cc/svg/L4Y.svg) | L4Y | Name: | (5R)-5-methyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide | Formula: | C19 H22 N4 O3 | SMILES: | C4c3c(c(C(=O)NC1C(N(c2c(OC1)cccc2)C)=O)nn3)CC(C4)C | InChi: | InChI=1S/C19H22N4O3/c1-11-7-8-13-12(9-11)17(22-21-13)18(24)20-14-10-26-16-6-4-3-5-15(16)23(2)19(14)25/h3-6,11,14H,7-10H2,1-2H3,(H,20,24)(H,21,22)/t11-,14+/m1/s1 | Definition date: | 2019-02-06 | Last modified: | 2019-04-26 | Release date: | 2019-05-01 | Identifier: | (5R)-5-methyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide |
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![HZE HZE](https://data.pdbj.org/pdbjplus/data/cc/svg/HZE.svg) | HZE | Name: | 5,6-bis(fluoranyl)-3-(4-piperazin-1-yl-2-propan-2-yloxy-phenyl)-1~{H}-indole-2-carboxamide | Formula: | C22 H24 F2 N4 O2 | SMILES: | CC(C)Oc1cc(ccc1c2c([nH]c3cc(F)c(F)cc23)C(N)=O)N4CCNCC4 | InChi: | InChI=1S/C22H24F2N4O2/c1-12(2)30-19-9-13(28-7-5-26-6-8-28)3-4-14(19)20-15-10-16(23)17(24)11-18(15)27-21(20)22(25)29/h3-4,9-12,26-27H,5-8H2,1-2H3,(H2,25,29) | Definition date: | 2019-01-08 | Last modified: | 2019-04-26 | Release date: | 2019-05-01 | Identifier: | 5,6-bis(fluoranyl)-3-(4-piperazin-1-yl-2-propan-2-yloxy-phenyl)-1~{H}-indole-2-carboxamide |
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![HZK HZK](https://data.pdbj.org/pdbjplus/data/cc/svg/HZK.svg) | HZK | Name: | (3~{S})-~{N}-[(3-chloranyl-5-fluoranyl-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-1-(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)pyrrolidine-3-carboxamide | Formula: | C21 H19 Cl F N3 O4 | SMILES: | O[C]1(CCN(C1=O)c2ccc3NC(=O)CCc3c2)C(=O)NCc4cc(F)cc(Cl)c4 | InChi: | InChI=1S/C21H19ClFN3O4/c22-14-7-12(8-15(23)10-14)11-24-19(28)21(30)5-6-26(20(21)29)16-2-3-17-13(9-16)1-4-18(27)25-17/h2-3,7-10,30H,1,4-6,11H2,(H,24,28)(H,25,27)/t21-/m0/s1 | Definition date: | 2019-01-08 | Last modified: | 2019-04-26 | Release date: | 2019-05-01 | Identifier: | (3~{S})-~{N}-[(3-chloranyl-5-fluoranyl-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-1-(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)pyrrolidine-3-carboxamide |
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![HZQ HZQ](https://data.pdbj.org/pdbjplus/data/cc/svg/HZQ.svg) | HZQ | Name: | 5-chloranylquinolin-8-ol | Formula: | C9 H6 Cl N O | SMILES: | Oc1ccc(Cl)c2cccnc12 | InChi: | InChI=1S/C9H6ClNO/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H | Definition date: | 2019-01-08 | Last modified: | 2019-04-26 | Release date: | 2019-05-01 | Identifier: | 5-chloranylquinolin-8-ol |
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![HZT HZT](https://data.pdbj.org/pdbjplus/data/cc/svg/HZT.svg) | HZT | Name: | ~{N}-[(4-fluorophenyl)methyl]-~{N}-(1~{H}-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide | Formula: | C14 H13 F N4 O2 S2 | SMILES: | Fc1ccc(CN(Cc2[nH]ncn2)[S](=O)(=O)c3sccc3)cc1 | InChi: | InChI=1S/C14H13FN4O2S2/c15-12-5-3-11(4-6-12)8-19(9-13-16-10-17-18-13)23(20,21)14-2-1-7-22-14/h1-7,10H,8-9H2,(H,16,17,18) | Definition date: | 2019-01-08 | Last modified: | 2019-04-26 | Release date: | 2019-05-01 | Identifier: | ~{N}-[(4-fluorophenyl)methyl]-~{N}-(1~{H}-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide |
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![HZW HZW](https://data.pdbj.org/pdbjplus/data/cc/svg/HZW.svg) | HZW | Name: | (3~{S})-~{N}-[(3-chloranyl-5-fluoranyl-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-1-phenyl-pyrrolidine-3-carboxamide | Formula: | C18 H16 Cl F N2 O3 | SMILES: | O[C]1(CCN(C1=O)c2ccccc2)C(=O)NCc3cc(F)cc(Cl)c3 | InChi: | InChI=1S/C18H16ClFN2O3/c19-13-8-12(9-14(20)10-13)11-21-16(23)18(25)6-7-22(17(18)24)15-4-2-1-3-5-15/h1-5,8-10,25H,6-7,11H2,(H,21,23)/t18-/m0/s1 | Definition date: | 2019-01-08 | Last modified: | 2019-04-26 | Release date: | 2019-05-01 | Identifier: | (3~{S})-~{N}-[(3-chloranyl-5-fluoranyl-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-1-phenyl-pyrrolidine-3-carboxamide |
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![J3Y J3Y](https://data.pdbj.org/pdbjplus/data/cc/svg/J3Y.svg) | J3Y | Name: | [6-{[(1S)-1-(5-fluoropyridin-2-yl)ethyl]amino}-1-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl](morpholin-4-yl)methanone | Formula: | C23 H24 F N7 O2 | SMILES: | c1(nc3c(cc1)c(cn3c2cc(C)nn2)C(N4CCOCC4)=O)NC(C)c5ncc(cc5)F | InChi: | InChI=1S/C23H24FN7O2/c1-14-11-21(29-28-14)31-13-18(23(32)30-7-9-33-10-8-30)17-4-6-20(27-22(17)31)26-15(2)19-5-3-16(24)12-25-19/h3-6,11-13,15H,7-10H2,1-2H3,(H,26,27)(H,28,29)/t15-/m0/s1 | Definition date: | 2018-08-08 | Last modified: | 2019-04-26 | Release date: | 2019-05-01 | Identifier: | [6-{[(1S)-1-(5-fluoropyridin-2-yl)ethyl]amino}-1-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl](morpholin-4-yl)methanone |
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![J4M J4M](https://data.pdbj.org/pdbjplus/data/cc/svg/J4M.svg) | J4M | Name: | N-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-b]pyridazin-6-amine | Formula: | C18 H16 F2 N6 | SMILES: | c4(NC(c1ccc(cc1F)F)C)ccc2n(c(cn2)c3cc(C)nn3)n4 | InChi: | InChI=1S/C18H16F2N6/c1-10-7-15(24-23-10)16-9-21-18-6-5-17(25-26(16)18)22-11(2)13-4-3-12(19)8-14(13)20/h3-9,11H,1-2H3,(H,22,25)(H,23,24)/t11-/m0/s1 | Definition date: | 2018-08-10 | Last modified: | 2019-04-26 | Release date: | 2019-05-01 | Identifier: | N-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-b]pyridazin-6-amine |
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![KKS KKS](https://data.pdbj.org/pdbjplus/data/cc/svg/KKS.svg) | KKS | Name: | 3-hydroxy-5-[(naphthalen-1-yl)methyl]-6-[4-(1H-tetrazol-5-yl)phenyl]pyridin-2(1H)-one | Formula: | C23 H17 N5 O2 | SMILES: | c5cc4cccc(CC=1C=C(O)C(NC=1c2ccc(cc2)c3nnnn3)=O)c4cc5 | InChi: | InChI=1S/C23H17N5O2/c29-20-13-18(12-17-6-3-5-14-4-1-2-7-19(14)17)21(24-23(20)30)15-8-10-16(11-9-15)22-25-27-28-26-22/h1-11,13,29H,12H2,(H,24,30)(H,25,26,27,28) | Definition date: | 2019-01-02 | Last modified: | 2019-04-26 | Release date: | 2019-05-01 | Identifier: | 3-hydroxy-5-[(naphthalen-1-yl)methyl]-6-[4-(1H-tetrazol-5-yl)phenyl]pyridin-2(1H)-one |
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![KKV KKV](https://data.pdbj.org/pdbjplus/data/cc/svg/KKV.svg) | KKV | Name: | 4-[2-(4-fluorophenyl)-5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl]benzoic acid | Formula: | C18 H12 F N O4 | SMILES: | O=C2C(O)=CC(c1ccc(cc1)C(=O)O)=C(N2)c3ccc(cc3)F | InChi: | InChI=1S/C18H12FNO4/c19-13-7-5-11(6-8-13)16-14(9-15(21)17(22)20-16)10-1-3-12(4-2-10)18(23)24/h1-9,21H,(H,20,22)(H,23,24) | Definition date: | 2019-01-02 | Last modified: | 2019-04-26 | Release date: | 2019-05-01 | Identifier: | 4-[2-(4-fluorophenyl)-5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl]benzoic acid |
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![A5Y A5Y](https://data.pdbj.org/pdbjplus/data/cc/svg/A5Y.svg) | A5Y | Name: | 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one | Formula: | C21 H17 F N4 O2 S | SMILES: | N3(C(c2cn(C1COC1)nc2N=C3SCc4cc(ccc4)F)=O)c5ccccc5 | InChi: | InChI=1S/C21H17FN4O2S/c22-15-6-4-5-14(9-15)13-29-21-23-19-18(10-25(24-19)17-11-28-12-17)20(27)26(21)16-7-2-1-3-8-16/h1-10,17H,11-13H2 | Definition date: | 2017-07-07 | Last modified: | 2019-04-26 | Release date: | 2019-05-01 | Identifier: | 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
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![FQ1 FQ1](https://data.pdbj.org/pdbjplus/data/cc/svg/FQ1.svg) | FQ1 | Name: | (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate | Formula: | C29 H38 F2 N2 O8 S | SMILES: | c1(OC)ccc(cc1)S(=O)(N(CC(C(Cc2cc(cc(c2)F)F)NC(=O)OC3CCOC4OCCC34)O)CC(C)C)=O | InChi: | InChI=1S/C29H38F2N2O8S/c1-18(2)16-33(42(36,37)23-6-4-22(38-3)5-7-23)17-26(34)25(14-19-12-20(30)15-21(31)13-19)32-29(35)41-27-9-11-40-28-24(27)8-10-39-28/h4-7,12-13,15,18,24-28,34H,8-11,14,16-17H2,1-3H3,(H,32,35)/t24-,25-,26+,27-,28+/m0/s1 | Definition date: | 2018-04-11 | Last modified: | 2019-04-26 | Release date: | 2019-05-01 | Identifier: | (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate |
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![FQ4 FQ4](https://data.pdbj.org/pdbjplus/data/cc/svg/FQ4.svg) | FQ4 | Name: | (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate | Formula: | C29 H39 F N2 O8 S | SMILES: | c1(OC)ccc(cc1)S(=O)(N(CC(C)C)CC(C(Cc2ccc(cc2)F)NC(=O)OC3CCOC4C3CCO4)O)=O | InChi: | InChI=1S/C29H39FN2O8S/c1-19(2)17-32(41(35,36)23-10-8-22(37-3)9-11-23)18-26(33)25(16-20-4-6-21(30)7-5-20)31-29(34)40-27-13-15-39-28-24(27)12-14-38-28/h4-11,19,24-28,33H,12-18H2,1-3H3,(H,31,34)/t24-,25-,26+,27-,28+/m0/s1 | Definition date: | 2018-04-11 | Last modified: | 2019-04-26 | Release date: | 2019-05-01 | Identifier: | (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate |
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![FWG FWG](https://data.pdbj.org/pdbjplus/data/cc/svg/FWG.svg) | FWG | Name: | cycloheptyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone | Formula: | C21 H27 N3 O3 S | SMILES: | C1CN(CCN1C(=O)C2CCCCCC2)S(=O)(=O)c4c3ccncc3ccc4 | InChi: | InChI=1S/C21H27N3O3S/c25-21(17-6-3-1-2-4-7-17)23-12-14-24(15-13-23)28(26,27)20-9-5-8-18-16-22-11-10-19(18)20/h5,8-11,16-17H,1-4,6-7,12-15H2 | Definition date: | 2018-04-23 | Last modified: | 2019-04-26 | Release date: | 2019-05-01 | Identifier: | cycloheptyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone |
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