![XIP XIP](https://data.pdbj.org/pdbjplus/data/cc/svg/XIP.svg) | XIP | Name: | 4-(4-aminostyryl)benzoic acid | Formula: | C15 H13 N O2 | SMILES: | Nc1ccc(cc1)C=Cc2ccc(cc2)C(O)=O | InChi: | InChI=1S/C15H13NO2/c16-14-9-5-12(6-10-14)2-1-11-3-7-13(8-4-11)15(17)18/h1-10H,16H2,(H,17,18) | Synonyms: | 4-[2-(4-aminophenyl)ethenyl]benzoic acid | Definition date: | 2023-11-02 | Last modified: | 2024-03-15 | Release date: | 2024-03-20 | Identifier: | 4-[2-(4-aminophenyl)ethenyl]benzoic acid |
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![X2Z X2Z](https://data.pdbj.org/pdbjplus/data/cc/svg/X2Z.svg) | X2Z | Name: | ~{N}7-(phenylmethyl)-~{N}5-[(3~{S})-piperidin-3-yl]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidine-5,7-diamine | Formula: | C21 H28 N6 | SMILES: | CC(C)c1cnn2c(NCc3ccccc3)cc(N[CH]4CCCNC4)nc12 | InChi: | InChI=1S/C21H28N6/c1-15(2)18-14-24-27-20(23-12-16-7-4-3-5-8-16)11-19(26-21(18)27)25-17-9-6-10-22-13-17/h3-5,7-8,11,14-15,17,22-23H,6,9-10,12-13H2,1-2H3,(H,25,26)/t17-/m0/s1 | Definition date: | 2023-05-31 | Last modified: | 2024-03-15 | Release date: | 2024-03-20 | Identifier: | ~{N}7-(phenylmethyl)-~{N}5-[(3~{S})-piperidin-3-yl]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidine-5,7-diamine |
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![XIT XIT](https://data.pdbj.org/pdbjplus/data/cc/svg/XIT.svg) | XIT | Name: | 4-(4-hydroxyphenethyl)benzoic acid | Formula: | C15 H14 O3 | SMILES: | OC(=O)c1ccc(CCc2ccc(O)cc2)cc1 | InChi: | InChI=1S/C15H14O3/c16-14-9-5-12(6-10-14)2-1-11-3-7-13(8-4-11)15(17)18/h3-10,16H,1-2H2,(H,17,18) | Synonyms: | 4-[2-(4-hydroxyphenyl)ethyl]benzoic acid | Definition date: | 2023-11-02 | Last modified: | 2024-03-15 | Release date: | 2024-03-20 | Identifier: | 4-[2-(4-hydroxyphenyl)ethyl]benzoic acid |
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![ZKE ZKE](https://data.pdbj.org/pdbjplus/data/cc/svg/ZKE.svg) | ZKE | Name: | Mevaldyl-Coenzyme A | Formula: | C27 H46 N7 O20 P3 S | SMILES: | O=C(O)CC(C)(O)CC(O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O | InChi: | InChI=1S/C27H46N7O20P3S/c1-26(2,21(40)24(41)30-5-4-15(35)29-6-7-58-17(38)9-27(3,42)8-16(36)37)11-51-57(48,49)54-56(46,47)50-10-14-20(53-55(43,44)45)19(39)25(52-14)34-13-33-18-22(28)31-12-32-23(18)34/h12-14,17,19-21,25,38-40,42H,4-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/t14-,17-,19-,20-,21+,25-,27+/m1/s1 | Synonyms: | (3R,5R,9R,19R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9,19,21-pentahydroxy-8,8,21-trimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-18-thia-11,15-diaza-3lambda~5~,5lambda~5~-diphosphatricosan-23-oic acid (non-preferred name) | Definition date: | 2023-06-27 | Last modified: | 2024-03-15 | Release date: | 2024-03-20 | Identifier: | (3R,5R,9R,19R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9,19,21-pentahydroxy-8,8,21-trimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-18-thia-11,15-diaza-3lambda~5~,5lambda~5~-diphosphatricosan-23-oic acid (non-preferred name) |
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![X3Z X3Z](https://data.pdbj.org/pdbjplus/data/cc/svg/X3Z.svg) | X3Z | Name: | (2S,3S)-3-[[7-[(2-bromophenyl)methylamino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]butane-1,2,4-triol | Formula: | C20 H26 Br N5 O3 | SMILES: | CC(C)c1cnn2c(NCc3ccccc3Br)cc(N[CH](CO)[CH](O)CO)nc12 | InChi: | InChI=1S/C20H26BrN5O3/c1-12(2)14-9-23-26-19(22-8-13-5-3-4-6-15(13)21)7-18(25-20(14)26)24-16(10-27)17(29)11-28/h3-7,9,12,16-17,22,27-29H,8,10-11H2,1-2H3,(H,24,25)/t16-,17+/m0/s1 | Definition date: | 2023-05-31 | Last modified: | 2024-03-15 | Release date: | 2024-03-20 | Identifier: | (2~{S},3~{S})-3-[[7-[(2-bromophenyl)methylamino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]butane-1,2,4-triol |
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![X4F X4F](https://data.pdbj.org/pdbjplus/data/cc/svg/X4F.svg) | X4F | Name: | (3R,4S)-4-[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyrrolidin-3-ol | Formula: | C20 H26 N6 O | SMILES: | CC(C)c1cnn2c(NCc3ccccc3)cc(N[CH]4CNC[CH]4O)nc12 | InChi: | InChI=1S/C20H26N6O/c1-13(2)15-10-23-26-19(22-9-14-6-4-3-5-7-14)8-18(25-20(15)26)24-16-11-21-12-17(16)27/h3-8,10,13,16-17,21-22,27H,9,11-12H2,1-2H3,(H,24,25)/t16-,17+/m0/s1 | Definition date: | 2023-05-31 | Last modified: | 2024-03-15 | Release date: | 2024-03-20 | Identifier: | (3~{R},4~{S})-4-[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyrrolidin-3-ol |
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![X4L X4L](https://data.pdbj.org/pdbjplus/data/cc/svg/X4L.svg) | X4L | Name: | N7-(phenylmethyl)-3-propan-2-yl-N5-[(3R)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine | Formula: | C20 H26 N6 | SMILES: | CC(C)c1cnn2c(NCc3ccccc3)cc(N[CH]4CCNC4)nc12 | InChi: | InChI=1S/C20H26N6/c1-14(2)17-13-23-26-19(22-11-15-6-4-3-5-7-15)10-18(25-20(17)26)24-16-8-9-21-12-16/h3-7,10,13-14,16,21-22H,8-9,11-12H2,1-2H3,(H,24,25)/t16-/m1/s1 | Definition date: | 2023-05-31 | Last modified: | 2024-03-15 | Release date: | 2024-03-20 | Identifier: | ~{N}7-(phenylmethyl)-3-propan-2-yl-~{N}5-[(3~{R})-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine |
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![X4Q X4Q](https://data.pdbj.org/pdbjplus/data/cc/svg/X4Q.svg) | X4Q | Name: | N7-(phenylmethyl)-3-propan-2-yl-N5-[(3S)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine | Formula: | C20 H26 N6 | SMILES: | CC(C)c1cnn2c(NCc3ccccc3)cc(N[CH]4CCNC4)nc12 | InChi: | InChI=1S/C20H26N6/c1-14(2)17-13-23-26-19(22-11-15-6-4-3-5-7-15)10-18(25-20(17)26)24-16-8-9-21-12-16/h3-7,10,13-14,16,21-22H,8-9,11-12H2,1-2H3,(H,24,25)/t16-/m0/s1 | Definition date: | 2023-05-31 | Last modified: | 2024-03-15 | Release date: | 2024-03-20 | Identifier: | ~{N}7-(phenylmethyl)-3-propan-2-yl-~{N}5-[(3~{S})-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine |
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![X50 X50](https://data.pdbj.org/pdbjplus/data/cc/svg/X50.svg) | X50 | Name: | (3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidine-3,4-diol | Formula: | C22 H30 N6 O2 | SMILES: | CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C]4(O)CCNC[CH]4O)nc12 | InChi: | InChI=1S/C22H30N6O2/c1-15(2)17-12-26-28-20(24-11-16-6-4-3-5-7-16)10-19(27-21(17)28)25-14-22(30)8-9-23-13-18(22)29/h3-7,10,12,15,18,23-24,29-30H,8-9,11,13-14H2,1-2H3,(H,25,27)/t18-,22-/m1/s1 | Definition date: | 2023-05-31 | Last modified: | 2024-03-15 | Release date: | 2024-03-20 | Identifier: | (3~{R},4~{R})-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidine-3,4-diol |
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![X58 X58](https://data.pdbj.org/pdbjplus/data/cc/svg/X58.svg) | X58 | Name: | (3S,4S)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidine-3,4-diol | Formula: | C22 H30 N6 O2 | SMILES: | CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C]4(O)CCNC[CH]4O)nc12 | InChi: | InChI=1S/C22H30N6O2/c1-15(2)17-12-26-28-20(24-11-16-6-4-3-5-7-16)10-19(27-21(17)28)25-14-22(30)8-9-23-13-18(22)29/h3-7,10,12,15,18,23-24,29-30H,8-9,11,13-14H2,1-2H3,(H,25,27)/t18-,22-/m0/s1 | Definition date: | 2023-05-31 | Last modified: | 2024-03-15 | Release date: | 2024-03-20 | Identifier: | (3~{S},4~{S})-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidine-3,4-diol |
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![VBU VBU](https://data.pdbj.org/pdbjplus/data/cc/svg/VBU.svg) | VBU | Name: | 3-chloranyl-6-(4-methylpiperazin-1-yl)-11~{H}-benzo[b][1,4]benzodiazepine | Formula: | C18 H19 Cl N4 | SMILES: | CN1CCN(CC1)C2=Nc3cc(Cl)ccc3Nc4ccccc24 | InChi: | InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3 | Synonyms: | Clozapine | Definition date: | 2023-07-14 | Last modified: | 2024-03-15 | Release date: | 2024-03-20 | Identifier: | 3-chloranyl-6-(4-methylpiperazin-1-yl)-11~{H}-benzo[b][1,4]benzodiazepine |
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![VCF VCF](https://data.pdbj.org/pdbjplus/data/cc/svg/VCF.svg) | VCF | Name: | 2-chloranyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine | Formula: | C18 H18 Cl N3 O | SMILES: | CN1CCN(CC1)C2=Nc3ccc(Cl)cc3Oc4ccccc24 | InChi: | InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-4-2-3-5-16(14)23-17-12-13(19)6-7-15(17)20-18/h2-7,12H,8-11H2,1H3 | Synonyms: | VUF-6884 | Definition date: | 2023-07-14 | Last modified: | 2024-03-15 | Release date: | 2024-03-20 | Identifier: | 2-chloranyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine |
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![VCL VCL](https://data.pdbj.org/pdbjplus/data/cc/svg/VCL.svg) | VCL | Name: | 3-(1~{H}-imidazol-4-yl)propyl ~{N}'-[(4-chlorophenyl)methyl]carbamimidothioate | Formula: | C14 H17 Cl N4 S | SMILES: | NC(SCCCc1c[nH]cn1)=NCc2ccc(Cl)cc2 | InChi: | InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19) | Synonyms: | Clobenpropit | Definition date: | 2023-07-14 | Last modified: | 2024-03-15 | Release date: | 2024-03-20 | Identifier: | 3-(1~{H}-imidazol-4-yl)propyl ~{N}'-[(4-chlorophenyl)methyl]carbamimidothioate |
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![O3K O3K](https://data.pdbj.org/pdbjplus/data/cc/svg/O3K.svg) | O3K | Name: | 2-bromanyl-N-decyl-ethanamide | Formula: | C12 H24 Br N O | SMILES: | CCCCCCCCCCNC(=O)CBr | InChi: | InChI=1S/C12H24BrNO/c1-2-3-4-5-6-7-8-9-10-14-12(15)11-13/h2-11H2,1H3,(H,14,15) | Synonyms: | 2-bromo-N-decyl acetamide (C10) | Definition date: | 2020-01-23 | Last modified: | 2024-03-15 | Release date: | 2024-03-20 | Identifier: | 2-bromanyl-~{N}-decyl-ethanamide |
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![OH9 OH9](https://data.pdbj.org/pdbjplus/data/cc/svg/OH9.svg) | OH9 | Name: | beta-methyl-adenosine diphosphate | Formula: | C11 H17 N5 O10 P2 | SMILES: | CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23 | InChi: | InChI=1S/C11H17N5O10P2/c1-23-27(19,20)26-28(21,22)24-2-5-7(17)8(18)11(25-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H,19,20)(H,21,22)(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 | Synonyms: | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] methyl hydrogen phosphate | Definition date: | 2022-09-07 | Last modified: | 2024-03-15 | Release date: | 2024-03-20 | Identifier: | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] methyl hydrogen phosphate |
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![OHR OHR](https://data.pdbj.org/pdbjplus/data/cc/svg/OHR.svg) | OHR | Name: | 2'-deoxyadenosine 5'-diphosphoribose | Formula: | C15 H23 N5 O13 P2 | SMILES: | Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH](O)[CH](O)[CH]4O)O3 | InChi: | InChI=1S/C15H23N5O13P2/c16-13-10-14(18-4-17-13)20(5-19-10)9-1-6(21)7(31-9)2-29-34(25,26)33-35(27,28)30-3-8-11(22)12(23)15(24)32-8/h4-9,11-12,15,21-24H,1-3H2,(H,25,26)(H,27,28)(H2,16,17,18)/t6-,7+,8+,9+,11+,12+,15-/m0/s1 | Synonyms: | [[(2~{R},3~{S},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{S})-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | Definition date: | 2022-09-07 | Last modified: | 2024-03-15 | Release date: | 2024-03-20 | Identifier: | [[(2~{R},3~{S},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{S})-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate |
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![OI3 OI3](https://data.pdbj.org/pdbjplus/data/cc/svg/OI3.svg) | OI3 | Name: | 2'-deoxyadenosine 5'-fluoro-diphosphoribose | Formula: | C15 H22 F N5 O13 P2 | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH](O)[CH](O)[CH]4O)[CH](O)[CH]3F | InChi: | InChI=1S/C15H22FN5O13P2/c16-7-9(22)5(32-14(7)21-4-20-8-12(17)18-3-19-13(8)21)1-30-35(26,27)34-36(28,29)31-2-6-10(23)11(24)15(25)33-6/h3-7,9-11,14-15,22-25H,1-2H2,(H,26,27)(H,28,29)(H2,17,18,19)/t5-,6-,7-,9-,10-,11-,14-,15-/m1/s1 | Synonyms: | [[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | Definition date: | 2022-09-07 | Last modified: | 2024-03-15 | Release date: | 2024-03-20 | Identifier: | [[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate |
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![OI6 OI6](https://data.pdbj.org/pdbjplus/data/cc/svg/OI6.svg) | OI6 | Name: | 8-bromoadenosine 5'-diphosphoribose | Formula: | C15 H22 Br N5 O14 P2 | SMILES: | Nc1ncnc2n([CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH](O)[CH](O)[CH]4O)[CH](O)[CH]3O)c(Br)nc12 | InChi: | InChI=1S/C15H22BrN5O14P2/c16-15-20-6-11(17)18-3-19-12(6)21(15)13-9(24)7(22)4(33-13)1-31-36(27,28)35-37(29,30)32-2-5-8(23)10(25)14(26)34-5/h3-5,7-10,13-14,22-26H,1-2H2,(H,27,28)(H,29,30)(H2,17,18,19)/t4-,5-,7-,8-,9-,10-,13-,14-/m1/s1 | Synonyms: | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-8-bromanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | Definition date: | 2022-09-07 | Last modified: | 2024-03-15 | Release date: | 2024-03-20 | Identifier: | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-8-bromanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate |
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![OIG OIG](https://data.pdbj.org/pdbjplus/data/cc/svg/OIG.svg) | OIG | Name: | beta-ethyl-adenosine diphosphate | Formula: | C12 H19 N5 O10 P2 | SMILES: | CCO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23 | InChi: | InChI=1S/C12H19N5O10P2/c1-2-24-28(20,21)27-29(22,23)25-3-6-8(18)9(19)12(26-6)17-5-16-7-10(13)14-4-15-11(7)17/h4-6,8-9,12,18-19H,2-3H2,1H3,(H,20,21)(H,22,23)(H2,13,14,15)/t6-,8-,9-,12-/m1/s1 | Synonyms: | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] ethyl hydrogen phosphate | Definition date: | 2022-09-07 | Last modified: | 2024-03-15 | Release date: | 2024-03-20 | Identifier: | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] ethyl hydrogen phosphate |
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![S6R S6R](https://data.pdbj.org/pdbjplus/data/cc/svg/S6R.svg) | S6R | Name: | 1-[4-(3-chlorophenyl)phenyl]carbonyl-4-[2-(4-phenylmethoxyphenyl)ethanoylamino]piperidine-4-carboxylic acid | Formula: | C34 H31 Cl N2 O5 | SMILES: | OC(=O)C1(CCN(CC1)C(=O)c2ccc(cc2)c3cccc(Cl)c3)NC(=O)Cc4ccc(OCc5ccccc5)cc4 | InChi: | InChI=1S/C34H31ClN2O5/c35-29-8-4-7-28(22-29)26-11-13-27(14-12-26)32(39)37-19-17-34(18-20-37,33(40)41)36-31(38)21-24-9-15-30(16-10-24)42-23-25-5-2-1-3-6-25/h1-16,22H,17-21,23H2,(H,36,38)(H,40,41) | Definition date: | 2023-04-11 | Last modified: | 2024-03-15 | Release date: | 2024-03-20 | Identifier: | 1-[4-(3-chlorophenyl)phenyl]carbonyl-4-[2-(4-phenylmethoxyphenyl)ethanoylamino]piperidine-4-carboxylic acid |
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![A1D5N A1D5N](https://data.pdbj.org/pdbjplus/data/cc/svg/A1D5N.svg) | A1D5N | Name: | (3~{S})-5-methyl-3-[[1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]carbonylamino]hexanoic acid | Formula: | C25 H33 N3 O3 S | SMILES: | CCC(CC)n1c(Cc2sccc2)nc3cc(ccc13)C(=O)N[CH](CC(C)C)CC(O)=O | InChi: | InChI=1S/C25H33N3O3S/c1-5-19(6-2)28-22-10-9-17(25(31)26-18(12-16(3)4)14-24(29)30)13-21(22)27-23(28)15-20-8-7-11-32-20/h7-11,13,16,18-19H,5-6,12,14-15H2,1-4H3,(H,26,31)(H,29,30)/t18-/m0/s1 | Synonyms: | CMF019 | Definition date: | 2024-01-24 | Last modified: | 2024-03-15 | Release date: | 2024-03-20 | Identifier: | (3~{S})-5-methyl-3-[[1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]carbonylamino]hexanoic acid |
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![A1H3U A1H3U](https://data.pdbj.org/pdbjplus/data/cc/svg/A1H3U.svg) | A1H3U | Name: | 1-[[5-[5-(1~{H}-pyrazol-5-yl)pyridin-2-yl]oxypyridin-2-yl]methyl]piperidin-4-ol | Formula: | C19 H21 N5 O2 | SMILES: | OC1CCN(CC1)Cc2ccc(Oc3ccc(cn3)c4[nH]ncc4)cn2 | InChi: | InChI=1S/C19H21N5O2/c25-16-6-9-24(10-7-16)13-15-2-3-17(12-20-15)26-19-4-1-14(11-21-19)18-5-8-22-23-18/h1-5,8,11-12,16,25H,6-7,9-10,13H2,(H,22,23) | Synonyms: | LIPID FRAGMENT | Definition date: | 2024-02-06 | Last modified: | 2024-03-15 | Release date: | 2024-03-20 | Identifier: | 1-[[5-[5-(1~{H}-pyrazol-5-yl)pyridin-2-yl]oxypyridin-2-yl]methyl]piperidin-4-ol |
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![A1H4E A1H4E](https://data.pdbj.org/pdbjplus/data/cc/svg/A1H4E.svg) | A1H4E | Name: | 4-[(3R)-3-methylmorpholin-4-yl]-2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-3H-pyridin-6-one | Formula: | C16 H22 F3 N3 O2 | SMILES: | C[CH]1COCCN1C2=CC(=O)N=C(C2)N3CCCC[CH]3C(F)(F)F | InChi: | InChI=1S/C16H22F3N3O2/c1-11-10-24-7-6-21(11)12-8-14(20-15(23)9-12)22-5-3-2-4-13(22)16(17,18)19/h9,11,13H,2-8,10H2,1H3/t11-,13-/m1/s1 | Definition date: | 2024-02-13 | Last modified: | 2024-03-15 | Release date: | 2024-03-20 | Identifier: | 4-[(3~{R})-3-methylmorpholin-4-yl]-2-[(2~{R})-2-(trifluoromethyl)piperidin-1-yl]-3~{H}-pyridin-6-one |
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![A1H4Q A1H4Q](https://data.pdbj.org/pdbjplus/data/cc/svg/A1H4Q.svg) | A1H4Q | Name: | 5-(aminomethyl)-N-(3-chloranyl-1-methyl-indol-7-yl)-1,3-dihydroisoindole-2-sulfonamide | Formula: | C18 H19 Cl N4 O2 S | SMILES: | Cn1cc(Cl)c2cccc(N[S](=O)(=O)N3Cc4ccc(CN)cc4C3)c12 | InChi: | InChI=1S/C18H19ClN4O2S/c1-22-11-16(19)15-3-2-4-17(18(15)22)21-26(24,25)23-9-13-6-5-12(8-20)7-14(13)10-23/h2-7,11,21H,8-10,20H2,1H3 | Definition date: | 2024-02-15 | Last modified: | 2024-03-15 | Release date: | 2024-03-20 | Identifier: | 5-(aminomethyl)-~{N}-(3-chloranyl-1-methyl-indol-7-yl)-1,3-dihydroisoindole-2-sulfonamide |
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![A1H4R A1H4R](https://data.pdbj.org/pdbjplus/data/cc/svg/A1H4R.svg) | A1H4R | Name: | 3-[3-[2,3-bis(chloranyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]propan-1-amine | Formula: | C16 H15 Cl2 N3 | SMILES: | NCCCc1cnc2c([nH]cc2c3cccc(Cl)c3Cl)c1 | InChi: | InChI=1S/C16H15Cl2N3/c17-13-5-1-4-11(15(13)18)12-9-20-14-7-10(3-2-6-19)8-21-16(12)14/h1,4-5,7-9,20H,2-3,6,19H2 | Definition date: | 2024-02-15 | Last modified: | 2024-03-15 | Release date: | 2024-03-20 | Identifier: | 3-[3-[2,3-bis(chloranyl)phenyl]-1~{H}-pyrrolo[3,2-b]pyridin-6-yl]propan-1-amine |
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