![Q1S Q1S](https://data.pdbj.org/pdbjplus/data/cc/svg/Q1S.svg) | Q1S | Name: | N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]isoquinolin-1-amine | Formula: | C20 H21 N5 O2 | SMILES: | c4(Nc1cc([N+]([O-])=O)ccc1N2CCN(CC2)C)c3ccccc3ccn4 | InChi: | InChI=1S/C20H21N5O2/c1-23-10-12-24(13-11-23)19-7-6-16(25(26)27)14-18(19)22-20-17-5-3-2-4-15(17)8-9-21-20/h2-9,14H,10-13H2,1H3,(H,21,22) | Definition date: | 2019-09-06 | Last modified: | 2019-11-29 | Release date: | 2019-12-04 | Identifier: | N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]isoquinolin-1-amine |
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![Q4D Q4D](https://data.pdbj.org/pdbjplus/data/cc/svg/Q4D.svg) | Q4D | Name: | (4S,7aR,9aR,10S,11E,18R)-6'-chloro-10-[2-(3,3-difluoroazetidin-1-yl)ethoxy]-N-(dimethylsulfamoyl)-18-hydroxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxamide | Formula: | C40 H52 Cl F2 N5 O7 S | SMILES: | C2CCc1c(ccc(c1)Cl)C23CN5c4c(OC3)ccc(c4)C(CC(N(CCC=CC(C6C(C5)CC6)OCCN7CC(C7)(F)F)C)=O)(C(NS(=O)(N(C)C)=O)=O)O | InChi: | InChI=1S/C40H52ClF2N5O7S/c1-45(2)56(52,53)44-37(50)40(51)21-36(49)46(3)16-5-4-8-34(54-18-17-47-24-39(42,43)25-47)31-12-9-28(31)22-48-23-38(26-55-35-14-10-29(40)20-33(35)48)15-6-7-27-19-30(41)11-13-32(27)38/h4,8,10-11,13-14,19-20,28,31,34,51H,5-7,9,12,15-18,21-26H2,1-3H3,(H,44,50)/b8-4+/t28-,31+,34-,38-,40+/m0/s1 | Definition date: | 2019-09-20 | Last modified: | 2019-11-29 | Release date: | 2019-12-04 | Identifier: | (4S,7aR,9aR,10S,11E,18R)-6'-chloro-10-[2-(3,3-difluoroazetidin-1-yl)ethoxy]-N-(dimethylsulfamoyl)-18-hydroxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxamide |
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![Q4S Q4S](https://data.pdbj.org/pdbjplus/data/cc/svg/Q4S.svg) | Q4S | Name: | (4S,7aR,9aR,10S,11E,18R)-6'-chloro-N-(dimethylsulfamoyl)-18-hydroxy-10-methoxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxamide | Formula: | C36 H47 Cl N4 O7 S | SMILES: | C1C3(c2c(CC1)cc(cc2)Cl)CN5c4c(OC3)ccc(c4)C(CC(N(CCC=CC(C6C(C5)CC6)OC)C)=O)(C(NS(=O)(N(C)C)=O)=O)O | InChi: | InChI=1S/C36H47ClN4O7S/c1-39(2)49(45,46)38-34(43)36(44)20-33(42)40(3)17-6-5-9-31(47-4)28-13-10-25(28)21-41-22-35(23-48-32-15-11-26(36)19-30(32)41)16-7-8-24-18-27(37)12-14-29(24)35/h5,9,11-12,14-15,18-19,25,28,31,44H,6-8,10,13,16-17,20-23H2,1-4H3,(H,38,43)/b9-5+/t25-,28+,31-,35-,36+/m0/s1 | Definition date: | 2019-09-23 | Last modified: | 2019-11-29 | Release date: | 2019-12-04 | Identifier: | (4S,7aR,9aR,10S,11E,18R)-6'-chloro-N-(dimethylsulfamoyl)-18-hydroxy-10-methoxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxamide |
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![Q4V Q4V](https://data.pdbj.org/pdbjplus/data/cc/svg/Q4V.svg) | Q4V | Name: | (4S,7aR,9aR,10S,11E,18R)-6'-chloro-10,18-dihydroxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxylic acid | Formula: | C33 H39 Cl N2 O6 | SMILES: | C2CCc1c(ccc(c1)Cl)C23CN5c4c(OC3)ccc(c4)C(CC(N(CCC=CC(C6C(C5)CC6)O)C)=O)(C(O)=O)O | InChi: | InChI=1S/C33H39ClN2O6/c1-35-14-3-2-6-28(37)25-10-7-22(25)18-36-19-32(13-4-5-21-15-24(34)9-11-26(21)32)20-42-29-12-8-23(16-27(29)36)33(41,31(39)40)17-30(35)38/h2,6,8-9,11-12,15-16,22,25,28,37,41H,3-5,7,10,13-14,17-20H2,1H3,(H,39,40)/b6-2+/t22-,25+,28-,32-,33+/m0/s1 | Definition date: | 2019-09-23 | Last modified: | 2019-11-29 | Release date: | 2019-12-04 | Identifier: | (4S,7aR,9aR,10S,11E,18R)-6'-chloro-10,18-dihydroxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxylic acid |
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![Q4Y Q4Y](https://data.pdbj.org/pdbjplus/data/cc/svg/Q4Y.svg) | Q4Y | Name: | (4S,11E,17R)-6'-chloro-17-hydroxy-14-methyl-15-oxo-3',4',8,9,10,13,14,15,16,17-decahydro-2'H,3H,5H,7H-spiro[1,18-(ethanediylidene)[1,4]oxazepino[4,3-a][1,8]diazacyclopentadecine-4,1'-naphthalene]-17-carboxylic acid | Formula: | C30 H35 Cl N2 O5 | SMILES: | C2CCc1c(ccc(c1)Cl)C23CN5c4c(OC3)ccc(c4)C(CC(N(CC=CCCCC5)C)=O)(C(O)=O)O | InChi: | InChI=1S/C30H35ClN2O5/c1-32-14-5-3-2-4-6-15-33-19-29(13-7-8-21-16-23(31)10-11-24(21)29)20-38-26-12-9-22(17-25(26)33)30(37,28(35)36)18-27(32)34/h3,5,9-12,16-17,37H,2,4,6-8,13-15,18-20H2,1H3,(H,35,36)/b5-3+/t29-,30+/m0/s1 | Definition date: | 2019-09-23 | Last modified: | 2019-11-29 | Release date: | 2019-12-04 | Identifier: | (4S,11E,17R)-6'-chloro-17-hydroxy-14-methyl-15-oxo-3',4',8,9,10,13,14,15,16,17-decahydro-2'H,3H,5H,7H-spiro[1,18-(ethanediylidene)[1,4]oxazepino[4,3-a][1,8]diazacyclopentadecine-4,1'-naphthalene]-17-carboxylic acid |
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![Q51 Q51](https://data.pdbj.org/pdbjplus/data/cc/svg/Q51.svg) | Q51 | Name: | (4S,7aR,9aR,10S,11E,14S,15R)-6'-chloro-10-hydroxy-14,15-dimethyl-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione | Formula: | C32 H39 Cl N2 O5 S | SMILES: | C2CCc1c(ccc(c1)Cl)C23CN5c4c(OC3)ccc(c4)C(NS(C(C(CC=CC(C6C(C5)CC6)O)C)C)(=O)=O)=O | InChi: | InChI=1S/C32H39ClN2O5S/c1-20-5-3-7-29(36)26-11-8-24(26)17-35-18-32(14-4-6-22-15-25(33)10-12-27(22)32)19-40-30-13-9-23(16-28(30)35)31(37)34-41(38,39)21(20)2/h3,7,9-10,12-13,15-16,20-21,24,26,29,36H,4-6,8,11,14,17-19H2,1-2H3,(H,34,37)/b7-3+/t20-,21+,24-,26+,29-,32-/m0/s1 | Definition date: | 2019-09-23 | Last modified: | 2019-11-29 | Release date: | 2019-12-04 | Identifier: | (4S,7aR,9aR,10S,11E,14S,15R)-6'-chloro-10-hydroxy-14,15-dimethyl-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione |
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![HJW HJW](https://data.pdbj.org/pdbjplus/data/cc/svg/HJW.svg) | HJW | Name: | ethyl (2~{S})-2-[(2-chloranyl-6-methyl-phenyl)-thiophen-2-ylcarbonyl-amino]propanoate | Formula: | C17 H18 Cl N O3 S | SMILES: | CCOC(=O)[CH](C)N(C(=O)c1sccc1)c2c(C)cccc2Cl | InChi: | InChI=1S/C17H18ClNO3S/c1-4-22-17(21)12(3)19(16(20)14-9-6-10-23-14)15-11(2)7-5-8-13(15)18/h5-10,12H,4H2,1-3H3/t12-/m0/s1 | Definition date: | 2018-12-11 | Last modified: | 2019-11-22 | Release date: | 2019-11-27 | Identifier: | ethyl (2~{S})-2-[(2-chloranyl-6-methyl-phenyl)-thiophen-2-ylcarbonyl-amino]propanoate |
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![HKE HKE](https://data.pdbj.org/pdbjplus/data/cc/svg/HKE.svg) | HKE | Name: | propan-2-yl (2~{S})-2-[[2,6-bis(chloranyl)phenyl]-(furan-2-ylcarbonyl)amino]propanoate | Formula: | C17 H17 Cl2 N O4 | SMILES: | CC(C)OC(=O)[CH](C)N(C(=O)c1occc1)c2c(Cl)cccc2Cl | InChi: | InChI=1S/C17H17Cl2NO4/c1-10(2)24-17(22)11(3)20(16(21)14-8-5-9-23-14)15-12(18)6-4-7-13(15)19/h4-11H,1-3H3/t11-/m0/s1 | Definition date: | 2018-12-12 | Last modified: | 2019-11-22 | Release date: | 2019-11-27 | Identifier: | propan-2-yl (2~{S})-2-[[2,6-bis(chloranyl)phenyl]-(furan-2-ylcarbonyl)amino]propanoate |
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![HKZ HKZ](https://data.pdbj.org/pdbjplus/data/cc/svg/HKZ.svg) | HKZ | Name: | 1-[2,6-bis(chloranyl)phenyl]-2-(furan-2-yl)-5-methyl-4-(phenylmethyl)imidazole | Formula: | C21 H16 Cl2 N2 O | SMILES: | Cc1n(c(nc1Cc2ccccc2)c3occc3)c4c(Cl)cccc4Cl | InChi: | InChI=1S/C21H16Cl2N2O/c1-14-18(13-15-7-3-2-4-8-15)24-21(19-11-6-12-26-19)25(14)20-16(22)9-5-10-17(20)23/h2-12H,13H2,1H3 | Definition date: | 2018-12-13 | Last modified: | 2019-11-22 | Release date: | 2019-11-27 | Identifier: | 1-[2,6-bis(chloranyl)phenyl]-2-(furan-2-yl)-5-methyl-4-(phenylmethyl)imidazole |
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![HL8 HL8](https://data.pdbj.org/pdbjplus/data/cc/svg/HL8.svg) | HL8 | Name: | 1-[2,4-bis(chloranyl)-3-[2-(5-chloranylfuran-2-yl)-5-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]azetidine-3-carboxylic acid | Formula: | C19 H13 Cl3 F3 N3 O3 | SMILES: | Cc1n(c(nc1C(F)(F)F)c2oc(Cl)cc2)c3c(Cl)ccc(N4CC(C4)C(O)=O)c3Cl | InChi: | InChI=1S/C19H13Cl3F3N3O3/c1-8-16(19(23,24)25)26-17(12-4-5-13(21)31-12)28(8)15-10(20)2-3-11(14(15)22)27-6-9(7-27)18(29)30/h2-5,9H,6-7H2,1H3,(H,29,30) | Definition date: | 2018-12-13 | Last modified: | 2019-11-22 | Release date: | 2019-11-27 | Identifier: | 1-[2,4-bis(chloranyl)-3-[2-(5-chloranylfuran-2-yl)-5-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]azetidine-3-carboxylic acid |
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![4FQ 4FQ](https://data.pdbj.org/pdbjplus/data/cc/svg/4FQ.svg) | 4FQ | Name: | 4-amino-5-hydroxy-6-[(E)-(3-{[3-(2-methylpropanoyl)pyrazolo[1,5-a]pyridin-2-yl]methyl}phenyl)diazenyl]naphthalene-1,3-disulfonic acid | Formula: | C28 H25 N5 O8 S2 | SMILES: | CC(C)C(c2c1n(cccc1)nc2Cc3cccc(c3)N=Nc5ccc4c(S(O)(=O)=O)cc(c(c4c5O)N)S(O)(=O)=O)=O | InChi: | InChI=1S/C28H25N5O8S2/c1-15(2)27(34)25-20(32-33-11-4-3-8-21(25)33)13-16-6-5-7-17(12-16)30-31-19-10-9-18-22(42(36,37)38)14-23(43(39,40)41)26(29)24(18)28(19)35/h3-12,14-15,35H,13,29H2,1-2H3,(H,36,37,38)(H,39,40,41)/b31-30+ | Definition date: | 2015-03-17 | Last modified: | 2019-11-22 | Release date: | 2019-11-27 | Identifier: | 4-amino-5-hydroxy-6-[(E)-(3-{[3-(2-methylpropanoyl)pyrazolo[1,5-a]pyridin-2-yl]methyl}phenyl)diazenyl]naphthalene-1,3-disulfonic acid |
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![KUW KUW](https://data.pdbj.org/pdbjplus/data/cc/svg/KUW.svg) | KUW | Name: | 2-[5-chloranyl-6-[4-[[1,1,3-tris(oxidanylidene)-5-phenyl-2-propan-2-yl-1,2-thiazol-4-yl]amino]piperidin-1-yl]pyridin-3-yl]ethanoic acid | Formula: | C24 H27 Cl N4 O5 S | SMILES: | CC(C)N1C(=O)C(=C(c2ccccc2)[S]1(=O)=O)NC3CCN(CC3)c4ncc(CC(O)=O)cc4Cl | InChi: | InChI=1S/C24H27ClN4O5S/c1-15(2)29-24(32)21(22(35(29,33)34)17-6-4-3-5-7-17)27-18-8-10-28(11-9-18)23-19(25)12-16(14-26-23)13-20(30)31/h3-7,12,14-15,18,27H,8-11,13H2,1-2H3,(H,30,31) | Definition date: | 2019-06-28 | Last modified: | 2019-11-22 | Release date: | 2019-11-27 | Identifier: | 2-[5-chloranyl-6-[4-[[1,1,3-tris(oxidanylidene)-5-phenyl-2-propan-2-yl-1,2-thiazol-4-yl]amino]piperidin-1-yl]pyridin-3-yl]ethanoic acid |
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![KUY KUY](https://data.pdbj.org/pdbjplus/data/cc/svg/KUY.svg) | KUY | Name: | 5-amino-N-{5-[(4S)-4-aminoazepan-1-yl]-1-methyl-1H-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide | Formula: | C20 H23 F2 N7 O S | SMILES: | n3(c(c(NC(c2nc(c1c(cccc1F)F)sc2N)=O)cn3)N4CCC(CCC4)N)C | InChi: | InChI=1S/C20H23F2N7OS/c1-28-20(29-8-3-4-11(23)7-9-29)14(10-25-28)26-18(30)16-17(24)31-19(27-16)15-12(21)5-2-6-13(15)22/h2,5-6,10-11H,3-4,7-9,23-24H2,1H3,(H,26,30)/t11-/m0/s1 | Definition date: | 2019-01-17 | Last modified: | 2019-11-22 | Release date: | 2019-11-27 | Identifier: | 5-amino-N-{5-[(4S)-4-aminoazepan-1-yl]-1-methyl-1H-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide |
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![KVB KVB](https://data.pdbj.org/pdbjplus/data/cc/svg/KVB.svg) | KVB | Name: | 2-[4-[[3-[3-(phenylmethyl)-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]ethanoic acid | Formula: | C32 H24 F3 N O3 | SMILES: | OC(=O)Cc1ccc(COc2cccc(c2)c3c(Cc4ccccc4)cnc5c3cccc5C(F)(F)F)cc1 | InChi: | InChI=1S/C32H24F3NO3/c33-32(34,35)28-11-5-10-27-30(25(19-36-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)39-20-23-14-12-22(13-15-23)17-29(37)38/h1-15,18-19H,16-17,20H2,(H,37,38) | Definition date: | 2019-06-29 | Last modified: | 2019-11-22 | Release date: | 2019-11-27 | Identifier: | 2-[4-[[3-[3-(phenylmethyl)-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]ethanoic acid |
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![KVK KVK](https://data.pdbj.org/pdbjplus/data/cc/svg/KVK.svg) | KVK | Name: | 6-[4-[[3-oxidanyl-1,1-bis(oxidanylidene)-5-phenyl-2-propan-2-yl-3~{H}-1,2-thiazol-4-yl]amino]butyl]pyridine-2-sulfonamide | Formula: | C21 H28 N4 O5 S2 | SMILES: | CC(C)N1[CH](O)C(=C(c2ccccc2)[S]1(=O)=O)NCCCCc3cccc(n3)[S](N)(=O)=O | InChi: | InChI=1S/C21H28N4O5S2/c1-15(2)25-21(26)19(20(32(25,29)30)16-9-4-3-5-10-16)23-14-7-6-11-17-12-8-13-18(24-17)31(22,27)28/h3-5,8-10,12-13,15,21,23,26H,6-7,11,14H2,1-2H3,(H2,22,27,28)/t21-/m0/s1 | Definition date: | 2019-06-29 | Last modified: | 2019-11-22 | Release date: | 2019-11-27 | Identifier: | 6-[4-[[3-oxidanyl-1,1-bis(oxidanylidene)-5-phenyl-2-propan-2-yl-3~{H}-1,2-thiazol-4-yl]amino]butyl]pyridine-2-sulfonamide |
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![KVM KVM](https://data.pdbj.org/pdbjplus/data/cc/svg/KVM.svg) | KVM | Name: | [(3S)-1-hydroxy-2,5-dioxopyrrolidin-3-yl]phosphonic acid | Formula: | C4 H6 N O6 P | SMILES: | OP(O)(=O)C1CC(N(O)C1=O)=O | InChi: | InChI=1S/C4H6NO6P/c6-3-1-2(12(9,10)11)4(7)5(3)8/h2,8H,1H2,(H2,9,10,11)/t2-/m0/s1 | Definition date: | 2019-01-18 | Last modified: | 2019-11-22 | Release date: | 2019-11-27 | Identifier: | [(3S)-1-hydroxy-2,5-dioxopyrrolidin-3-yl]phosphonic acid |
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![L5B L5B](https://data.pdbj.org/pdbjplus/data/cc/svg/L5B.svg) | L5B | Name: | 6-(2,4-dichlorophenyl)-5-[4-[(3~{S})-1-(3-fluoranylpropyl)pyrrolidin-3-yl]oxyphenyl]-8,9-dihydro-7~{H}-benzo[7]annulene-2-carboxylic acid | Formula: | C31 H30 Cl2 F N O3 | SMILES: | OC(=O)c1ccc2c(CCCC(=C2c3ccc(O[CH]4CCN(CCCF)C4)cc3)c5ccc(Cl)cc5Cl)c1 | InChi: | InChI=1S/C31H30Cl2FNO3/c32-23-8-12-27(29(33)18-23)28-4-1-3-21-17-22(31(36)37)7-11-26(21)30(28)20-5-9-24(10-6-20)38-25-13-16-35(19-25)15-2-14-34/h5-12,17-18,25H,1-4,13-16,19H2,(H,36,37)/t25-/m0/s1 | Definition date: | 2019-07-22 | Last modified: | 2019-11-22 | Release date: | 2019-11-27 | Identifier: | 6-(2,4-dichlorophenyl)-5-[4-[(3~{S})-1-(3-fluoranylpropyl)pyrrolidin-3-yl]oxyphenyl]-8,9-dihydro-7~{H}-benzo[7]annulene-2-carboxylic acid |
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![L68 L68](https://data.pdbj.org/pdbjplus/data/cc/svg/L68.svg) | L68 | Name: | 2-[3-[2,6-bis(fluoranyl)-4-(1~{H}-pyrazol-4-yl)phenyl]-3-oxidanylidene-prop-1-enyl]-4-(1-methylpyrazol-4-yl)benzoic acid | Formula: | C23 H16 F2 N4 O3 | SMILES: | Cn1cc(cn1)c2ccc(C(O)=O)c(C=CC(=O)c3c(F)cc(cc3F)c4c[nH]nc4)c2 | InChi: | InChI=1S/C23H16F2N4O3/c1-29-12-17(11-28-29)13-2-4-18(23(31)32)14(6-13)3-5-21(30)22-19(24)7-15(8-20(22)25)16-9-26-27-10-16/h2-12H,1H3,(H,26,27)(H,31,32)/b5-3+ | Definition date: | 2019-07-23 | Last modified: | 2019-11-22 | Release date: | 2019-11-27 | Identifier: | 2-[3-[2,6-bis(fluoranyl)-4-(1~{H}-pyrazol-4-yl)phenyl]-3-oxidanylidene-prop-1-enyl]-4-(1-methylpyrazol-4-yl)benzoic acid |
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![L6B L6B](https://data.pdbj.org/pdbjplus/data/cc/svg/L6B.svg) | L6B | Name: | methyl 4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-3-enoate | Formula: | C15 H18 N2 O4 | SMILES: | COC(=O)CC=CNC(=O)C1=CC2=C(CCCC2)NC1=O | InChi: | InChI=1S/C15H18N2O4/c1-21-13(18)7-4-8-16-14(19)11-9-10-5-2-3-6-12(10)17-15(11)20/h4,8-9H,2-3,5-7H2,1H3,(H,16,19)(H,17,20)/b8-4+ | Definition date: | 2019-07-23 | Last modified: | 2019-11-22 | Release date: | 2019-11-27 | Identifier: | methyl 4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-3-enoate |
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![L6E L6E](https://data.pdbj.org/pdbjplus/data/cc/svg/L6E.svg) | L6E | Name: | [2-(methylamino)-2-oxidanylidene-ethyl] (~{E})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-2-enoate | Formula: | C17 H21 N3 O5 | SMILES: | CNC(=O)COC(=O)C=CCNC(=O)C1=CC2=C(CCCC2)NC1=O | InChi: | InChI=1S/C17H21N3O5/c1-18-14(21)10-25-15(22)7-4-8-19-16(23)12-9-11-5-2-3-6-13(11)20-17(12)24/h4,7,9H,2-3,5-6,8,10H2,1H3,(H,18,21)(H,19,23)(H,20,24)/b7-4+ | Definition date: | 2019-07-23 | Last modified: | 2019-11-22 | Release date: | 2019-11-27 | Identifier: | [2-(methylamino)-2-oxidanylidene-ethyl] (~{E})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-2-enoate |
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![L6H L6H](https://data.pdbj.org/pdbjplus/data/cc/svg/L6H.svg) | L6H | Name: | [2-[3-(cyclooct-4-en-1-yloxycarbonylamino)propylamino]-2-oxidanylidene-ethyl] (~{E})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-2-enoate | Formula: | C28 H38 N4 O7 | SMILES: | O=C(COC(=O)C=CCNC(=O)C1=CC2=C(CCCC2)NC1=O)NCCCNC(=O)O[CH]3CCCC=CCC3 | InChi: | InChI=1S/C28H38N4O7/c33-24(29-16-9-17-31-28(37)39-21-11-4-2-1-3-5-12-21)19-38-25(34)14-8-15-30-26(35)22-18-20-10-6-7-13-23(20)32-27(22)36/h1-2,8,14,18,21H,3-7,9-13,15-17,19H2,(H,29,33)(H,30,35)(H,31,37)(H,32,36)/b2-1?,14-8+/t21-/m1/s1 | Definition date: | 2019-07-23 | Last modified: | 2019-11-22 | Release date: | 2019-11-27 | Identifier: | [2-[3-(cyclooct-4-en-1-yloxycarbonylamino)propylamino]-2-oxidanylidene-ethyl] (~{E})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-2-enoate |
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![OVM OVM](https://data.pdbj.org/pdbjplus/data/cc/svg/OVM.svg) | OVM | Name: | 3-methoxybenzoic acid | Formula: | C8 H8 O3 | SMILES: | C(O)(c1cccc(c1)OC)=O | InChi: | InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10) | Definition date: | 2019-07-09 | Last modified: | 2019-11-22 | Release date: | 2019-11-27 | Identifier: | 3-methoxybenzoic acid |
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![OVP OVP](https://data.pdbj.org/pdbjplus/data/cc/svg/OVP.svg) | OVP | Name: | 3-(methylsulfanyl)benzoic acid | Formula: | C8 H8 O2 S | SMILES: | CSc1cccc(c1)C(O)=O | InChi: | InChI=1S/C8H8O2S/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10) | Definition date: | 2019-07-09 | Last modified: | 2019-11-22 | Release date: | 2019-11-27 | Identifier: | 3-(methylsulfanyl)benzoic acid |
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![OVV OVV](https://data.pdbj.org/pdbjplus/data/cc/svg/OVV.svg) | OVV | Name: | 3-methylbenzoic acid | Formula: | C8 H8 O2 | SMILES: | Cc1cccc(c1)C(O)=O | InChi: | InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10) | Definition date: | 2019-07-10 | Last modified: | 2019-11-22 | Release date: | 2019-11-27 | Identifier: | 3-methylbenzoic acid |
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![OW4 OW4](https://data.pdbj.org/pdbjplus/data/cc/svg/OW4.svg) | OW4 | Name: | 3-(methylamino)benzoic acid | Formula: | C8 H9 N O2 | SMILES: | CNc1cccc(c1)C(O)=O | InChi: | InChI=1S/C8H9NO2/c1-9-7-4-2-3-6(5-7)8(10)11/h2-5,9H,1H3,(H,10,11) | Definition date: | 2019-07-11 | Last modified: | 2019-11-22 | Release date: | 2019-11-27 | Identifier: | 3-(methylamino)benzoic acid |
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