![A8F A8F](https://data.pdbj.org/pdbjplus/data/cc/svg/A8F.svg) | A8F | Name: | 1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(piperidin-1-yl)ethan-1-one | Formula: | C19 H23 Cl N2 O | SMILES: | O=C(c1c(n(c(c1)C)c2ccc(cc2)Cl)C)CN3CCCCC3 | InChi: | InChI=1S/C19H23ClN2O/c1-14-12-18(19(23)13-21-10-4-3-5-11-21)15(2)22(14)17-8-6-16(20)7-9-17/h6-9,12H,3-5,10-11,13H2,1-2H3 | Definition date: | 2018-10-19 | Last modified: | 2018-12-07 | Release date: | 2018-12-12 | Identifier: | 1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(piperidin-1-yl)ethan-1-one |
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![A8L A8L](https://data.pdbj.org/pdbjplus/data/cc/svg/A8L.svg) | A8L | Name: | 1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethan-1-one | Formula: | C19 H23 Cl N2 O2 | SMILES: | c1c(ccc(c1)n3c(C)cc(C(=O)CN2CCC(CC2)O)c3C)Cl | InChi: | InChI=1S/C19H23ClN2O2/c1-13-11-18(19(24)12-21-9-7-17(23)8-10-21)14(2)22(13)16-5-3-15(20)4-6-16/h3-6,11,17,23H,7-10,12H2,1-2H3 | Definition date: | 2018-10-19 | Last modified: | 2018-12-07 | Release date: | 2018-12-12 | Identifier: | 1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethan-1-one |
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![A9R A9R](https://data.pdbj.org/pdbjplus/data/cc/svg/A9R.svg) | A9R | Name: | 7-methoxy-6-(1-methyl-1H-pyrazol-4-yl)-3-(pyridin-2-yl)imidazo[1,2-a]pyridine | Formula: | C17 H15 N5 O | SMILES: | n1cc(cn1C)c2cn3c(cnc3cc2OC)c4ncccc4 | InChi: | InChI=1S/C17H15N5O/c1-21-10-12(8-20-21)13-11-22-15(14-5-3-4-6-18-14)9-19-17(22)7-16(13)23-2/h3-11H,1-2H3 | Definition date: | 2018-10-28 | Last modified: | 2018-12-07 | Release date: | 2018-12-12 | Identifier: | 7-methoxy-6-(1-methyl-1H-pyrazol-4-yl)-3-(pyridin-2-yl)imidazo[1,2-a]pyridine |
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![IU1 IU1](https://data.pdbj.org/pdbjplus/data/cc/svg/IU1.svg) | IU1 | Name: | 1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(pyrrolidin-1-yl)ethan-1-one | Formula: | C18 H21 F N2 O | SMILES: | O=C(c1c(n(c(c1)C)c2ccc(cc2)F)C)CN3CCCC3 | InChi: | InChI=1S/C18H21FN2O/c1-13-11-17(18(22)12-20-9-3-4-10-20)14(2)21(13)16-7-5-15(19)6-8-16/h5-8,11H,3-4,9-10,12H2,1-2H3 | Definition date: | 2018-10-19 | Last modified: | 2018-12-07 | Release date: | 2018-12-12 | Identifier: | 1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(pyrrolidin-1-yl)ethan-1-one |
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![C68 C68](https://data.pdbj.org/pdbjplus/data/cc/svg/C68.svg) | C68 | Name: | (2~{S})-2-[[(2~{S})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]oxycarbonylamino]pentanedioic acid | Formula: | C12 H19 N O8 | SMILES: | CC(C)C[CH](OC(=O)N[CH](CCC(O)=O)C(O)=O)C(O)=O | InChi: | InChI=1S/C12H19NO8/c1-6(2)5-8(11(18)19)21-12(20)13-7(10(16)17)3-4-9(14)15/h6-8H,3-5H2,1-2H3,(H,13,20)(H,14,15)(H,16,17)(H,18,19)/t7-,8-/m0/s1 | Definition date: | 2017-11-15 | Last modified: | 2018-12-07 | Release date: | 2018-12-12 | Identifier: | (2~{S})-2-[[(2~{S})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]oxycarbonylamino]pentanedioic acid |
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![C8B C8B](https://data.pdbj.org/pdbjplus/data/cc/svg/C8B.svg) | C8B | Name: | (3~{R},6~{S})-1,4-dimethyl-6-[(4-nitro-1~{H}-indol-3-yl)methyl]-3-oxidanyl-3-(phenylmethyl)piperazine-2,5-dione | Formula: | C22 H22 N4 O5 | SMILES: | CN1[CH](Cc2c[nH]c3cccc(c23)[N+]([O-])=O)C(=O)N(C)[C](O)(Cc4ccccc4)C1=O | InChi: | InChI=1S/C22H22N4O5/c1-24-18(11-15-13-23-16-9-6-10-17(19(15)16)26(30)31)20(27)25(2)22(29,21(24)28)12-14-7-4-3-5-8-14/h3-10,13,18,23,29H,11-12H2,1-2H3/t18-,22+/m0/s1 | Definition date: | 2017-11-18 | Last modified: | 2018-12-07 | Release date: | 2018-12-12 | Identifier: | (3~{R},6~{S})-1,4-dimethyl-6-[(4-nitro-1~{H}-indol-3-yl)methyl]-3-oxidanyl-3-(phenylmethyl)piperazine-2,5-dione |
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![C8H C8H](https://data.pdbj.org/pdbjplus/data/cc/svg/C8H.svg) | C8H | Name: | (3~{S},6~{S})-1,4-dimethyl-3-[(4-nitro-1~{H}-indol-3-yl)methyl]-6-(phenylmethyl)piperazine-2,5-dione | Formula: | C22 H22 N4 O4 | SMILES: | CN1[CH](Cc2ccccc2)C(=O)N(C)[CH](Cc3c[nH]c4cccc(c34)[N+]([O-])=O)C1=O | InChi: | InChI=1S/C22H22N4O4/c1-24-18(11-14-7-4-3-5-8-14)21(27)25(2)19(22(24)28)12-15-13-23-16-9-6-10-17(20(15)16)26(29)30/h3-10,13,18-19,23H,11-12H2,1-2H3/t18-,19-/m0/s1 | Definition date: | 2017-11-18 | Last modified: | 2018-12-07 | Release date: | 2018-12-12 | Identifier: | (3~{S},6~{S})-1,4-dimethyl-3-[(4-nitro-1~{H}-indol-3-yl)methyl]-6-(phenylmethyl)piperazine-2,5-dione |
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![EEY EEY](https://data.pdbj.org/pdbjplus/data/cc/svg/EEY.svg) | EEY | Name: | 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide | Formula: | C12 H8 Cl N3 O3 | SMILES: | C(Nc1ccncc1)(c2c(ccc(c2)[N+](=O)[O-])Cl)=O | InChi: | InChI=1S/C12H8ClN3O3/c13-11-2-1-9(16(18)19)7-10(11)12(17)15-8-3-5-14-6-4-8/h1-7H,(H,14,15,17) | Definition date: | 2018-01-08 | Last modified: | 2018-12-07 | Release date: | 2018-12-12 | Identifier: | 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide |
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![KGV KGV](https://data.pdbj.org/pdbjplus/data/cc/svg/KGV.svg) | KGV | Name: | 3'-deoxy-3'-(D-phenylalanylamino)adenosine 5'-(dihydrogen phosphate) | Formula: | C19 H24 N7 O7 P | SMILES: | c1nc2c(c(n1)N)ncn2C4C(C(NC(=O)C(Cc3ccccc3)N)C(O4)COP(O)(O)=O)O | InChi: | InChI=1S/C19H24N7O7P/c20-11(6-10-4-2-1-3-5-10)18(28)25-13-12(7-32-34(29,30)31)33-19(15(13)27)26-9-24-14-16(21)22-8-23-17(14)26/h1-5,8-9,11-13,15,19,27H,6-7,20H2,(H,25,28)(H2,21,22,23)(H2,29,30,31)/t11-,12-,13-,15-,19-/m1/s1 | Definition date: | 2018-12-04 | Last modified: | 2018-12-07 | Release date: | 2018-12-12 | Identifier: | 3'-deoxy-3'-(D-phenylalanylamino)adenosine 5'-(dihydrogen phosphate) |
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![L76 L76](https://data.pdbj.org/pdbjplus/data/cc/svg/L76.svg) | L76 | Name: | 1-(4-{[(2R,3S)-2-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholin-4-yl]methyl}-1H-1,2,3-triazol-5-yl)-N,N-dimethylmethanamine | Formula: | C26 H28 F7 N5 O2 | SMILES: | Fc1ccc(cc1)C2N(CCOC2OC(C)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)Cc4c(CN(C)C)nnn4 | InChi: | InChI=1S/C26H28F7N5O2/c1-15(17-10-18(25(28,29)30)12-19(11-17)26(31,32)33)40-24-23(16-4-6-20(27)7-5-16)38(8-9-39-24)14-22-21(13-37(2)3)34-36-35-22/h4-7,10-12,15,23-24H,8-9,13-14H2,1-3H3,(H,34,35,36)/t15-,23+,24-/m1/s1 | Definition date: | 2018-07-20 | Last modified: | 2018-12-07 | Release date: | 2018-12-12 | Identifier: | 1-(4-{[(2R,3S)-2-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholin-4-yl]methyl}-1H-1,2,3-triazol-5-yl)-N,N-dimethylmethanamine |
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![969 969](https://data.pdbj.org/pdbjplus/data/cc/svg/969.svg) | 969 | Name: | 11-hydroxy-2-[(2S)-2-hydroxybutan-2-yl]-5-methyl-4H-anthra[1,2-b]pyran-4,7,12-trione | Formula: | C22 H18 O6 | SMILES: | CCC(C1=CC(c4c(O1)c3C(=O)c2c(O)cccc2C(c3cc4C)=O)=O)(O)C | InChi: | InChI=1S/C22H18O6/c1-4-22(3,27)15-9-14(24)16-10(2)8-12-18(21(16)28-15)20(26)17-11(19(12)25)6-5-7-13(17)23/h5-9,23,27H,4H2,1-3H3/t22-/m0/s1 | Definition date: | 2018-01-16 | Last modified: | 2018-12-07 | Release date: | 2018-12-12 | Identifier: | 11-hydroxy-2-[(2S)-2-hydroxybutan-2-yl]-5-methyl-4H-anthra[1,2-b]pyran-4,7,12-trione |
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![CQB CQB](https://data.pdbj.org/pdbjplus/data/cc/svg/CQB.svg) | CQB | Name: | (2~{S})-2-[[(2~{S})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoyloxy]pentanedioic acid | Formula: | C12 H19 N O8 | SMILES: | CC(C)C[CH](NC(=O)O[CH](CCC(O)=O)C(O)=O)C(O)=O | InChi: | InChI=1S/C12H19NO8/c1-6(2)5-7(10(16)17)13-12(20)21-8(11(18)19)3-4-9(14)15/h6-8H,3-5H2,1-2H3,(H,13,20)(H,14,15)(H,16,17)(H,18,19)/t7-,8-/m0/s1 | Definition date: | 2017-12-01 | Last modified: | 2018-12-07 | Release date: | 2018-12-12 | Identifier: | (2~{S})-2-[[(2~{S})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoyloxy]pentanedioic acid |
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![CQK CQK](https://data.pdbj.org/pdbjplus/data/cc/svg/CQK.svg) | CQK | Name: | ~{N}-oxidanyl-4-(2~{H}-1,2,3,4-tetrazol-5-yl)pyridine-2-carboxamide | Formula: | C7 H6 N6 O2 | SMILES: | ONC(=O)c1cc(ccn1)c2n[nH]nn2 | InChi: | InChI=1S/C7H6N6O2/c14-7(11-15)5-3-4(1-2-8-5)6-9-12-13-10-6/h1-3,15H,(H,11,14)(H,9,10,12,13) | Definition date: | 2017-12-03 | Last modified: | 2018-12-07 | Release date: | 2018-12-12 | Identifier: | ~{N}-oxidanyl-4-(2~{H}-1,2,3,4-tetrazol-5-yl)pyridine-2-carboxamide |
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![CQT CQT](https://data.pdbj.org/pdbjplus/data/cc/svg/CQT.svg) | CQT | Name: | ~{N}-(3-morpholin-4-ylpropyl)-4-(2~{H}-1,2,3,4-tetrazol-5-yl)pyridine-2-carboxamide | Formula: | C14 H19 N7 O2 | SMILES: | O=C(NCCCN1CCOCC1)c2cc(ccn2)c3n[nH]nn3 | InChi: | InChI=1S/C14H19N7O2/c22-14(16-3-1-5-21-6-8-23-9-7-21)12-10-11(2-4-15-12)13-17-19-20-18-13/h2,4,10H,1,3,5-9H2,(H,16,22)(H,17,18,19,20) | Definition date: | 2017-12-03 | Last modified: | 2018-12-07 | Release date: | 2018-12-12 | Identifier: | ~{N}-(3-morpholin-4-ylpropyl)-4-(2~{H}-1,2,3,4-tetrazol-5-yl)pyridine-2-carboxamide |
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![CQZ CQZ](https://data.pdbj.org/pdbjplus/data/cc/svg/CQZ.svg) | CQZ | Name: | 2-(3-oxidanylpropylamino)pyridine-4-carboxylic acid | Formula: | C9 H12 N2 O3 | SMILES: | OCCCNc1cc(ccn1)C(O)=O | InChi: | InChI=1S/C9H12N2O3/c12-5-1-3-10-8-6-7(9(13)14)2-4-11-8/h2,4,6,12H,1,3,5H2,(H,10,11)(H,13,14) | Definition date: | 2017-12-03 | Last modified: | 2018-12-07 | Release date: | 2018-12-12 | Identifier: | 2-(3-oxidanylpropylamino)pyridine-4-carboxylic acid |
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![CTK CTK](https://data.pdbj.org/pdbjplus/data/cc/svg/CTK.svg) | CTK | Name: | 2-[2-(methylsulfonylamino)ethylamino]pyridine-4-carboxylic acid | Formula: | C9 H13 N3 O4 S | SMILES: | C[S](=O)(=O)NCCNc1cc(ccn1)C(O)=O | InChi: | InChI=1S/C9H13N3O4S/c1-17(15,16)12-5-4-11-8-6-7(9(13)14)2-3-10-8/h2-3,6,12H,4-5H2,1H3,(H,10,11)(H,13,14) | Definition date: | 2017-12-03 | Last modified: | 2018-12-07 | Release date: | 2018-12-12 | Identifier: | 2-[2-(methylsulfonylamino)ethylamino]pyridine-4-carboxylic acid |
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![CVZ CVZ](https://data.pdbj.org/pdbjplus/data/cc/svg/CVZ.svg) | CVZ | Name: | 3-[(~{E})-5-[ethyl-[(2-nitrophenyl)methyl]amino]pent-1-enyl]-1-[5-[ethyl-[(2-nitrophenyl)methyl]amino]pentyl]-6-methyl-pyrimidine-2,4-dione | Formula: | C33 H44 N6 O6 | SMILES: | CCN(CCCCCN1C(=CC(=O)N(C=CCCCN(CC)Cc2ccccc2[N+]([O-])=O)C1=O)C)Cc3ccccc3[N+]([O-])=O | InChi: | InChI=1S/C33H44N6O6/c1-4-34(25-28-16-8-10-18-30(28)38(42)43)20-12-6-14-22-36-27(3)24-32(40)37(33(36)41)23-15-7-13-21-35(5-2)26-29-17-9-11-19-31(29)39(44)45/h8-11,15-19,23-24H,4-7,12-14,20-22,25-26H2,1-3H3/b23-15+ | Definition date: | 2017-12-09 | Last modified: | 2018-12-07 | Release date: | 2018-12-12 | Identifier: | 3-[(~{E})-5-[ethyl-[(2-nitrophenyl)methyl]amino]pent-1-enyl]-1-[5-[ethyl-[(2-nitrophenyl)methyl]amino]pentyl]-6-methyl-pyrimidine-2,4-dione |
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![E9G E9G](https://data.pdbj.org/pdbjplus/data/cc/svg/E9G.svg) | E9G | Name: | {hydroxy[(1S)-1-phenylethyl]amino}(oxo)acetic acid | Formula: | C10 H11 N O4 | SMILES: | c1cccc(C(C)N(C(=O)C(O)=O)O)c1 | InChi: | InChI=1S/C10H11NO4/c1-7(8-5-3-2-4-6-8)11(15)9(12)10(13)14/h2-7,15H,1H3,(H,13,14)/t7-/m0/s1 | Definition date: | 2017-12-13 | Last modified: | 2018-12-07 | Release date: | 2018-12-12 | Identifier: | {hydroxy[(1S)-1-phenylethyl]amino}(oxo)acetic acid |
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![E9J E9J](https://data.pdbj.org/pdbjplus/data/cc/svg/E9J.svg) | E9J | Name: | oxo{[(1S)-1-phenylethyl]amino}acetic acid | Formula: | C10 H11 N O3 | SMILES: | C(C(NC(C)c1ccccc1)=O)(O)=O | InChi: | InChI=1S/C10H11NO3/c1-7(11-9(12)10(13)14)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)(H,13,14)/t7-/m0/s1 | Definition date: | 2017-12-13 | Last modified: | 2018-12-07 | Release date: | 2018-12-12 | Identifier: | oxo{[(1S)-1-phenylethyl]amino}acetic acid |
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![K9J K9J](https://data.pdbj.org/pdbjplus/data/cc/svg/K9J.svg) | K9J | Name: | 1-{4-[2-{[(2R)-1-(dimethylamino)propan-2-yl]oxy}-7-(3-hydroxynaphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one | Formula: | C29 H38 N6 O3 | SMILES: | c5c(N3Cc1c(c(nc(OC(CN(C)C)C)n1)N2CCN(CC2)C(=O)CC)CC3)c4ccccc4cc5O | InChi: | InChI=1S/C29H38N6O3/c1-5-27(37)33-12-14-34(15-13-33)28-24-10-11-35(26-17-22(36)16-21-8-6-7-9-23(21)26)19-25(24)30-29(31-28)38-20(2)18-32(3)4/h6-9,16-17,20,36H,5,10-15,18-19H2,1-4H3/t20-/m1/s1 | Definition date: | 2018-11-14 | Last modified: | 2018-12-07 | Release date: | 2018-12-12 | Identifier: | 1-{4-[2-{[(2R)-1-(dimethylamino)propan-2-yl]oxy}-7-(3-hydroxynaphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one |
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![K9M K9M](https://data.pdbj.org/pdbjplus/data/cc/svg/K9M.svg) | K9M | Name: | 1-{4-[7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one | Formula: | C24 H27 N5 O | SMILES: | c5c(N2Cc3ncnc(N1CCN(CC1)C(=O)CC)c3CC2)c4ccccc4cc5 | InChi: | InChI=1S/C24H27N5O/c1-2-23(30)27-12-14-28(15-13-27)24-20-10-11-29(16-21(20)25-17-26-24)22-9-5-7-18-6-3-4-8-19(18)22/h3-9,17H,2,10-16H2,1H3 | Definition date: | 2018-11-14 | Last modified: | 2018-12-07 | Release date: | 2018-12-12 | Identifier: | 1-{4-[7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one |
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![KFD KFD](https://data.pdbj.org/pdbjplus/data/cc/svg/KFD.svg) | KFD | Name: | N-[2-(morpholin-4-yl)-6-(piperidin-1-yl)-1,3-benzoxazol-5-yl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide | Formula: | C29 H29 N7 O3 | SMILES: | C1CCCCN1c4cc3oc(N2CCOCC2)nc3cc4NC(=O)c5nc(ccc5)c7cc6ccnc6nc7 | InChi: | InChI=1S/C29H29N7O3/c37-28(22-6-4-5-21(32-22)20-15-19-7-8-30-27(19)31-18-20)33-23-16-24-26(17-25(23)35-9-2-1-3-10-35)39-29(34-24)36-11-13-38-14-12-36/h4-8,15-18H,1-3,9-14H2,(H,30,31)(H,33,37) | Definition date: | 2018-11-30 | Last modified: | 2018-12-07 | Release date: | 2018-12-12 | Identifier: | N-[2-(morpholin-4-yl)-6-(piperidin-1-yl)-1,3-benzoxazol-5-yl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide |
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![DIH DIH](https://data.pdbj.org/pdbjplus/data/cc/svg/DIH.svg) | DIH | Name: | 7-[[(3R,4R)-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one | Formula: | C12 H17 N4 O3 | SMILES: | OC[CH]1C[NH+](C[CH]1O)Cc2c[nH]c3C(=O)NC=Nc23 | InChi: | InChI=1S/C12H16N4O3/c17-5-8-3-16(4-9(8)18)2-7-1-13-11-10(7)14-6-15-12(11)19/h1,6,8-9,13,17-18H,2-5H2,(H,14,15,19)/p+1/t8-,9+/m1/s1 | Definition date: | 2002-11-05 | Last modified: | 2018-12-05 | Identifier: | 7-[[(3~{R},4~{R})-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one |
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![PCZ PCZ](https://data.pdbj.org/pdbjplus/data/cc/svg/PCZ.svg) | PCZ | Name: | (2R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid | Formula: | C14 H15 N5 O5 S2 | SMILES: | O=CC(C1N=C(C(=C)CS1)C(=O)O)NC(=O)C(=N/OC)c2csc(n2)N | InChi: | InChI=1S/C14H15N5O5S2/c1-6-4-25-12(18-9(6)13(22)23)7(3-20)16-11(21)10(19-24-2)8-5-26-14(15)17-8/h3,5,7,12H,1,4H2,2H3,(H2,15,17)(H,16,21)(H,22,23)/b19-10-/t7-,12-/m1/s1 | Synonyms: | CEFOTAXIME PRODUCT, OPEN FORM | Definition date: | 2004-12-16 | Last modified: | 2018-12-05 | Identifier: | (2R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
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![HKB HKB](https://data.pdbj.org/pdbjplus/data/cc/svg/HKB.svg) | HKB | Name: | ~{N}-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]-4-(dimethylamino)benzenesulfonamide | Formula: | C22 H18 N2 O6 S | SMILES: | CN(C)c1ccc(cc1)[S](=O)(=O)Nc2cc3C(=O)c4ccccc4C(=O)c3c(O)c2O | InChi: | InChI=1S/C22H18N2O6S/c1-24(2)12-7-9-13(10-8-12)31(29,30)23-17-11-16-18(22(28)21(17)27)20(26)15-6-4-3-5-14(15)19(16)25/h3-11,23,27-28H,1-2H3 | Definition date: | 2017-08-15 | Last modified: | 2018-11-30 | Release date: | 2018-12-05 | Identifier: | ~{N}-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]-4-(dimethylamino)benzenesulfonamide |
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