![IK8 IK8](https://data.pdbj.org/pdbjplus/data/cc/svg/IK8.svg) | IK8 | Name: | 1-(3-AMINO-1,2-BENZISOXAZOL-5-YL)-N-(4-{2-[(DIMETHYLAMINO)METHYL]-1H-IMIDAZOL-1-YL}-2-FLUOROPHENYL)-3-(TRIFLUOROMETHYL)
-1H-PYRAZOLE-5-CARBOXAMIDE | Formula: | C24 H20 F4 N8 O2 | SMILES: | Fc2cc(n1ccnc1CN(C)C)ccc2NC(=O)c5cc(nn5c4cc3c(onc3N)cc4)C(F)(F)F | InChi: | InChI=1S/C24H20F4N8O2/c1-34(2)12-21-30-7-8-35(21)13-3-5-17(16(25)10-13)31-23(37)18-11-20(24(26,27)28)32-36(18)14-4-6-19-15(9-14)22(29)33-38-19/h3-11H,12H2,1-2H3,(H2,29,33)(H,31,37) | Synonyms: | 1-(3'-AMINOBENZISOXAZOL-5'-YL)-3-TRIFLUOROMETHYL-N-[2-FLUORO-4-[(2'-DIMETHYLAMINOMETHYL)IMIDAZOL-1-YL]PHENYL]-1H-PYRAZO
LE-5-CARBOXYAMIDE | Definition date: | 2005-04-06 | Last modified: | 2020-06-17 | Identifier: | 1-(3-amino-1,2-benzoxazol-5-yl)-N-(4-{2-[(dimethylamino)methyl]-1H-imidazol-1-yl}-2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide |
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![YZS YZS](https://data.pdbj.org/pdbjplus/data/cc/svg/YZS.svg) | YZS | Name: | (2S)-sulfonatepropionyl-amino(dethia)-CoA | Formula: | C24 H41 N8 O20 P3 S | SMILES: | O=P(OC1C(OC(C1O)n2cnc3c2ncnc3N)COP(OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(NCCNC(=O)C(S(O)(=O)=O)C)=O)(=O)O)(O)O | InChi: | InChI=1S/C24H41N8O20P3S/c1-12(56(45,46)47)21(36)28-7-6-26-14(33)4-5-27-22(37)18(35)24(2,3)9-49-55(43,44)52-54(41,42)48-8-13-17(51-53(38,39)40)16(34)23(50-13)32-11-31-15-19(25)29-10-30-20(15)32/h10-13,16-18,23,34-35H,4-9H2,1-3H3,(H,26,33)(H,27,37)(H,28,36)(H,41,42)(H,43,44)(H2,25,29,30)(H2,38,39,40)(H,45,46,47)/t12-,13+,16+,17+,18-,23+/m0/s1 | Synonyms: | (2~{S})-1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]me
thoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylamino]-
1-oxidanylidene-propane-2-sulfonic acid | Definition date: | 2019-02-25 | Last modified: | 2020-06-17 | Release date: | 2019-04-10 | Identifier: | (3S,5R,9R,20S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-11,15,18-triaza-3,5-diphosphahenicosane-20-sulfonic acid 3,5-dioxide (non-preferred name) |
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![VPA VPA](https://data.pdbj.org/pdbjplus/data/cc/svg/VPA.svg) | VPA | Name: | 2-phenyl-N-(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)ethylamidine | Formula: | C19 H28 N2 O9 | SMILES: | O(CC2OC(NC(=[N@H])Cc1ccccc1)C(O)C(O)C2O)C3OCC(O)C(O)C3O | InChi: | InChI=1S/C19H28N2O9/c20-12(6-9-4-2-1-3-5-9)21-18-16(26)15(25)14(24)11(30-18)8-29-19-17(27)13(23)10(22)7-28-19/h1-5,10-11,13-19,22-27H,6-8H2,(H2,20,21)/t10-,11-,13+,14-,15+,16-,17-,18-,19+/m1/s1 | Synonyms: | 2-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-tris(oxidanyl)-6-[[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]oxan-2-yl]e
thanimidamide | Definition date: | 2014-01-31 | Last modified: | 2020-06-17 | Release date: | 2014-04-23 | Identifier: | N-[(1E)-2-phenylethanimidoyl]-6-O-beta-D-xylopyranosyl-beta-D-glucopyranosylamine |
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![VPC VPC](https://data.pdbj.org/pdbjplus/data/cc/svg/VPC.svg) | VPC | Name: | Phthalocyanine containing GA | Formula: | C32 H16 Ga N8 | SMILES: | [Ga]1N2C3=NC4=NC(=Nc5n1c(N=C6N=C(N=C2c7ccccc37)c8ccccc68)c9ccccc59)c%10ccccc4%10 | InChi: | InChI=1S/C32H16N8.Ga/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25 | Synonyms: | Gallium(III)-phthalocyanine | Definition date: | 2017-05-17 | Last modified: | 2020-06-17 | Release date: | 2017-12-06 |
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![VPR VPR](https://data.pdbj.org/pdbjplus/data/cc/svg/VPR.svg) | VPR | Name: | 2-PROPYLPENTANAMIDE | Formula: | C8 H17 N O | SMILES: | O=C(N)C(CCC)CCC | InChi: | InChI=1S/C8H17NO/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H2,9,10) | Synonyms: | VALPROMIDE | Definition date: | 2003-02-03 | Last modified: | 2020-06-17 | Identifier: | 2-propylpentanamide |
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![Z22 Z22](https://data.pdbj.org/pdbjplus/data/cc/svg/Z22.svg) | Z22 | Name: | S-methyl methanesulfonothioate | Formula: | C2 H6 O2 S2 | SMILES: | CS[S](C)(=O)=O | InChi: | InChI=1S/C2H6O2S2/c1-5-6(2,3)4/h1-2H3 | Synonyms: | S-Methyl methanethiosulfonate | Definition date: | 2009-11-18 | Last modified: | 2020-06-17 | Identifier: | methylsulfanylsulfonylmethane |
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![VPX VPX](https://data.pdbj.org/pdbjplus/data/cc/svg/VPX.svg) | VPX | Name: | ethyl
[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-{(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl}-1-methyl-3-oxododecahydronaphtho[2,3-c]fur
an-6-yl]carbamate | Formula: | C29 H33 F N2 O4 | SMILES: | Fc1cccc(c1)c2ccc(nc2)C=CC4C3C(CC(NC(=O)OCC)CC3)CC5C(=O)OC(C45)C | InChi: | InChI=1S/C29H33FN2O4/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34)/b12-9+/t17-,20+,23-,24-,25+,26-,27+/m1/s1 | Synonyms: | vorapaxar | Definition date: | 2012-08-23 | Last modified: | 2020-06-17 | Release date: | 2012-12-07 | Identifier: | ethyl [(1R,3aR,4aR,6R,8aR,9S,9aS)-9-{(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl}-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl]carbamate |
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![ZOM ZOM](https://data.pdbj.org/pdbjplus/data/cc/svg/ZOM.svg) | ZOM | Name: | [5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-yl]acetic acid | Formula: | C15 H14 Cl N O3 | SMILES: | O=C(c1c(cc(n1C)CC(=O)O)C)c2ccc(Cl)cc2 | InChi: | InChI=1S/C15H14ClNO3/c1-9-7-12(8-13(18)19)17(2)14(9)15(20)10-3-5-11(16)6-4-10/h3-7H,8H2,1-2H3,(H,18,19) | Synonyms: | Zomepirac | Definition date: | 2011-03-29 | Last modified: | 2020-06-17 | Identifier: | [5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-yl]acetic acid |
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![IM2 IM2](https://data.pdbj.org/pdbjplus/data/cc/svg/IM2.svg) | IM2 | Name: | (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox
ylic acid | Formula: | C12 H19 N3 O4 S | SMILES: | O=C(O)C1=C(SCCNC=[N@H])CC(N1)C(C=O)C(O)C | InChi: | InChI=1S/C12H19N3O4S/c1-7(17)8(5-16)9-4-10(11(15-9)12(18)19)20-3-2-14-6-13/h5-9,15,17H,2-4H2,1H3,(H2,13,14)(H,18,19)/t7-,8-,9-/m1/s1 | Synonyms: | IMIPENEM, open form | Definition date: | 1999-07-13 | Last modified: | 2020-06-17 | Identifier: | (5R)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carboxylic acid |
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![IM3 IM3](https://data.pdbj.org/pdbjplus/data/cc/svg/IM3.svg) | IM3 | Name: | (2E)-3-(3,4-DIHYDROXYPHENYL)-2-IMINOPROPANOIC ACID | Formula: | C9 H9 N O4 | SMILES: | O=C(O)C(=[N@H])Cc1cc(O)c(O)cc1 | InChi: | InChI=1S/C9H9NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,10-12H,3H2,(H,13,14)/b10-6+ | Synonyms: | IMINO-DOPA | Definition date: | 2006-12-14 | Last modified: | 2020-06-17 | Identifier: | (2E)-3-(3,4-dihydroxyphenyl)-2-iminopropanoic acid |
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![IM5 IM5](https://data.pdbj.org/pdbjplus/data/cc/svg/IM5.svg) | IM5 | Name: | 2-amino-7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one | Formula: | C12 H17 N5 O3 | SMILES: | O=C2NC(=Nc1c(cnc12)CN3CC(C(O)C3)CO)N | InChi: | InChI=1S/C12H17N5O3/c13-12-15-9-6(1-14-10(9)11(20)16-12)2-17-3-7(5-18)8(19)4-17/h1,7-8,14,18-19H,2-5H2,(H3,13,15,16,20)/t7-,8+/m1/s1 | Synonyms: | DADMe-ImmG | Definition date: | 2010-11-05 | Last modified: | 2020-06-17 | Identifier: | 2-amino-7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one |
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![IMB IMB](https://data.pdbj.org/pdbjplus/data/cc/svg/IMB.svg) | IMB | Name: | [(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-METHYL]-PHOSPHONIC ACID | Formula: | C10 H12 N2 O6 P2 | SMILES: | O=P(O)(O)C(Nc2nccc1ccccc12)P(=O)(O)O | InChi: | InChI=1S/C10H12N2O6P2/c13-19(14,15)10(20(16,17)18)12-9-8-4-2-1-3-7(8)5-6-11-9/h1-6,10H,(H,11,12)(H2,13,14,15)(H2,16,17,18) | Synonyms: | (3-ISOQUINOLYLAMINE) METHYLENE-1,1-BISPHOSPHONATE | Definition date: | 2004-04-20 | Last modified: | 2020-06-17 | Identifier: | [(isoquinolin-1-ylamino)methanediyl]bis(phosphonic acid) |
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![ZPA ZPA](https://data.pdbj.org/pdbjplus/data/cc/svg/ZPA.svg) | ZPA | Name: | 4-(N-benzylsuccinimide-3-sulfanyl)-N-(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)butylamidine | Formula: | C26 H37 N3 O11 S | SMILES: | O=C3N(C(=O)CC3SCCCC(=[N@H])NC2OC(COC1OCC(O)C(O)C1O)C(O)C(O)C2O)Cc4ccccc4 | InChi: | InChI=1S/C26H37N3O11S/c27-17(7-4-8-41-16-9-18(31)29(25(16)37)10-13-5-2-1-3-6-13)28-24-22(35)21(34)20(33)15(40-24)12-39-26-23(36)19(32)14(30)11-38-26/h1-3,5-6,14-16,19-24,26,30,32-36H,4,7-12H2,(H2,27,28)/t14-,15-,16-,19+,20-,21+,22-,23-,24-,26+/m1/s1 | Synonyms: | 4-[(3R)-2,5-bis(oxidanylidene)-1-(phenylmethyl)pyrrolidin-3-yl]sulfanyl-N-[(2R,3R,4S,5S,6R)-3,4,5-tris(oxidanyl)-6-[[(2
S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]oxan-2-yl]butanimidamide | Definition date: | 2014-01-31 | Last modified: | 2020-06-17 | Release date: | 2014-04-23 | Identifier: | N-[(1Z)-4-{[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]sulfanyl}butanimidoyl]-6-O-beta-D-xylopyranosyl-beta-D-glucopyranosylamine |
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![IMK IMK](https://data.pdbj.org/pdbjplus/data/cc/svg/IMK.svg) | IMK | Name: | 2-(BETA-D-GLUCOPYRANOSYL)-5-METHYL-1-BENZIMIDAZOLE | Formula: | C14 H18 N2 O5 | SMILES: | OC1C(O)C(O)C(OC1CO)c3nc2cc(ccc2n3)C | InChi: | InChI=1S/C14H18N2O5/c1-6-2-3-7-8(4-6)16-14(15-7)13-12(20)11(19)10(18)9(5-17)21-13/h2-4,9-13,17-20H,5H2,1H3,(H,15,16)/t9-,10-,11+,12-,13-/m1/s1 | Synonyms: | 2-(BETA-D-GLUCOPYRANOSYL)-5-METHYL-1,2,3-BENZIMIDAZOLE | Definition date: | 2004-10-05 | Last modified: | 2020-06-17 | Identifier: | (1S)-1,5-anhydro-1-(5-methyl-1H-benzimidazol-2-yl)-D-glucitol |
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![IMR IMR](https://data.pdbj.org/pdbjplus/data/cc/svg/IMR.svg) | IMR | Name: | IMINORIBITOL | Formula: | C5 H11 N O3 | SMILES: | OCC1NCC(O)C1O | InChi: | InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2/t3-,4+,5-/m1/s1 | Synonyms: | 2-HYDROXYMETHYL-PYRROLIDINE-3,4-DIOL | Definition date: | 2001-03-29 | Last modified: | 2020-06-17 | Identifier: | (2R,3R,4S)-2-(hydroxymethyl)pyrrolidine-3,4-diol |
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![VRB VRB](https://data.pdbj.org/pdbjplus/data/cc/svg/VRB.svg) | VRB | Name: | Phycoviolobilin, blue light-absorbing form | Formula: | C33 H42 N4 O6 | SMILES: | CCC1=C(C)C(=O)N[CH]1Cc2[nH]c(Cc3[nH]c(C=C4NC(=O)C(=C4C)CC)c(C)c3CCC(O)=O)c(CCC(O)=O)c2C | InChi: | InChI=1S/C33H42N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h13,27,34-35H,7-12,14-15H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-/t27-/m1/s1 | Synonyms: | 3-[5-[(3-ethyl-4-methyl-5-oxidanylidene-1,2-dihydropyrrol-2-yl)methyl]-2-[[5-[(Z)-(4-ethyl-3-methyl-5-oxidanylidene-pyr
rol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid | Definition date: | 2012-08-28 | Last modified: | 2020-06-17 | Identifier: | 3-[5-[(3-ethyl-4-methyl-5-oxidanylidene-1,2-dihydropyrrol-2-yl)methyl]-2-[[5-[(Z)-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid |
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![ZPT ZPT](https://data.pdbj.org/pdbjplus/data/cc/svg/ZPT.svg) | ZPT | Name: | Trichloro(ethene)platinate(II) | Formula: | C2 H4 Cl3 Pt | SMILES: | [Cl-]|[Pt++]|1(|[Cl-])(|[Cl-])|C=C|1 | InChi: | InChI=1S/C2H4.3ClH.Pt/c1-2 | Synonyms: | Zeise's salt | Definition date: | 2016-07-13 | Last modified: | 2020-06-17 | Release date: | 2016-09-21 |
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![IN0 IN0](https://data.pdbj.org/pdbjplus/data/cc/svg/IN0.svg) | IN0 | Name: | N-{2-[TRANS-7-CHLORO-1-(2,2-DIMETHYL-PROPYL) -5-NAPHTHALEN-1-YL-2-OXO-1,2,3,5-TETRAHYDRO-BENZO[E]
[1,4]OXAZEPIN-3-YL]-ACETYL}-ASPARTIC ACID | Formula: | C30 H31 Cl N2 O7 | SMILES: | O=C(O)CC(C(=O)O)NC(=O)CC1OC(c2cc(Cl)ccc2N(C1=O)CC(C)(C)C)c4c3ccccc3ccc4 | InChi: | InChI=1S/C30H31ClN2O7/c1-30(2,3)16-33-23-12-11-18(31)13-21(23)27(20-10-6-8-17-7-4-5-9-19(17)20)40-24(28(33)37)15-25(34)32-22(29(38)39)14-26(35)36/h4-13,22,24,27H,14-16H2,1-3H3,(H,32,34)(H,35,36)(H,38,39)/t22-,24+,27+/m0/s1 | Synonyms: | CP-320473 | Definition date: | 2000-05-24 | Last modified: | 2020-06-17 | Identifier: | N-{[(3R,5R)-7-chloro-1-(2,2-dimethylpropyl)-5-naphthalen-1-yl-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl}-L-aspartic acid |
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![IN8 IN8](https://data.pdbj.org/pdbjplus/data/cc/svg/IN8.svg) | IN8 | Name: | [2-(5-MERCAPTO-[1,3,4]THIADIAZOL-2-YLCARBAMOYL)-1-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER | Formula: | C19 H18 N4 O3 S2 | SMILES: | O=C(Nc1nnc(S)s1)CC(c2ccccc2)NC(=O)OCc3ccccc3 | InChi: | InChI=1S/C19H18N4O3S2/c24-16(21-17-22-23-19(27)28-17)11-15(14-9-5-2-6-10-14)20-18(25)26-12-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,20,25)(H,23,27)(H,21,22,24)/t15-/m1/s1 | Synonyms: | PNU-141803 | Definition date: | 1999-07-08 | Last modified: | 2020-06-17 | Identifier: | benzyl {(1R)-3-oxo-1-phenyl-3-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)amino]propyl}carbamate |
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![VSC VSC](https://data.pdbj.org/pdbjplus/data/cc/svg/VSC.svg) | VSC | Name: | N-[N'-BENZYLOXYCARBONYL-PHENYLALANINYL]-3-AMINO-5-PHENYL-PENTANE-1-SULFONIC ACID PHENYL ESTER | Formula: | C34 H36 N2 O6 S | SMILES: | O=S(=O)(Oc1ccccc1)CCC(NC(=O)C(NC(=O)OCc2ccccc2)Cc3ccccc3)CCc4ccccc4 | InChi: | InChI=1S/C34H36N2O6S/c37-33(32(25-28-15-7-2-8-16-28)36-34(38)41-26-29-17-9-3-10-18-29)35-30(22-21-27-13-5-1-6-14-27)23-24-43(39,40)42-31-19-11-4-12-20-31/h1-20,30,32H,21-26H2,(H,35,37)(H,36,38)/t30-,32-/m0/s1 | Synonyms: | WRR-204 | Definition date: | 2000-05-03 | Last modified: | 2020-06-17 | Identifier: | phenyl (3S)-3-({N-[(benzyloxy)carbonyl]-L-phenylalanyl}amino)-5-phenylpentane-1-sulfonate |
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![INS INS](https://data.pdbj.org/pdbjplus/data/cc/svg/INS.svg) | INS | Name: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE | Formula: | C6 H12 O6 | SMILES: | OC1C(O)C(O)C(O)C(O)C1O | InChi: | InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6- | Synonyms: | MYO-INOSITOL | Definition date: | 1999-07-08 | Last modified: | 2020-06-17 | Identifier: | (1R,2S,3r,4R,5S,6s)-cyclohexane-1,2,3,4,5,6-hexol |
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![Z81 Z81](https://data.pdbj.org/pdbjplus/data/cc/svg/Z81.svg) | Z81 | Name: | (5S)-2-amino-5-(2',5'-difluorobiphenyl-3-yl)-3-methyl-5-pyridin-4-yl-3,5-dihydro-4H-imidazol-4-one | Formula: | C21 H16 F2 N4 O | SMILES: | CN1C(=N[C](C1=O)(c2ccncc2)c3cccc(c3)c4cc(F)ccc4F)N | InChi: | InChI=1S/C21H16F2N4O/c1-27-19(28)21(26-20(27)24,14-7-9-25-10-8-14)15-4-2-3-13(11-15)17-12-16(22)5-6-18(17)23/h2-12H,1H3,(H2,24,26)/t21-/m1/s1 | Synonyms: | 4-[3-OXO-3-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-PROPENYL]-BENZOIC ACID | Definition date: | 2010-02-05 | Last modified: | 2020-06-17 | Identifier: | (5S)-2-azanyl-5-[3-(2,5-difluorophenyl)phenyl]-3-methyl-5-pyridin-4-yl-imidazol-4-one |
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![Z83 Z83](https://data.pdbj.org/pdbjplus/data/cc/svg/Z83.svg) | Z83 | Name: | (4-{3-tert-butyl-5-[(1,3-thiazol-2-ylcarbamoyl)amino]-1H-pyrazol-1-yl}phenyl)acetic acid | Formula: | C19 H21 N5 O3 S | SMILES: | CC(C)(C)c1cc(NC(=O)Nc2sccn2)n(n1)c3ccc(CC(O)=O)cc3 | InChi: | InChI=1S/C19H21N5O3S/c1-19(2,3)14-11-15(21-17(27)22-18-20-8-9-28-18)24(23-14)13-6-4-12(5-7-13)10-16(25)26/h4-9,11H,10H2,1-3H3,(H,25,26)(H2,20,21,22,27) | Synonyms: | 2-(4-(3-tert-butyl-5-(3-thiazol-2-ylureido)-1H-pyrazol-1-yl)phenyl)acetic acid | Definition date: | 2010-01-24 | Last modified: | 2020-06-17 | Identifier: | 2-[4-[3-tert-butyl-5-(1,3-thiazol-2-ylcarbamoylamino)pyrazol-1-yl]phenyl]ethanoic acid |
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![Z87 Z87](https://data.pdbj.org/pdbjplus/data/cc/svg/Z87.svg) | Z87 | Name: | 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(1,3-thiazol-2-yl)urea | Formula: | C18 H21 N5 O S | SMILES: | Cc1ccc(cc1)n2nc(cc2NC(=O)Nc3sccn3)C(C)(C)C | InChi: | InChI=1S/C18H21N5OS/c1-12-5-7-13(8-6-12)23-15(11-14(22-23)18(2,3)4)20-16(24)21-17-19-9-10-25-17/h5-11H,1-4H3,(H2,19,20,21,24) | Synonyms: | 1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(thiazol-2-yl)urea | Definition date: | 2010-01-24 | Last modified: | 2020-06-17 | Identifier: | 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-(1,3-thiazol-2-yl)urea |
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![Z89 Z89](https://data.pdbj.org/pdbjplus/data/cc/svg/Z89.svg) | Z89 | Name: | (2R)-2-[(5Z)-5-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanedioic acid | Formula: | C15 H9 Br N2 O6 S2 | SMILES: | OC(=O)C[CH](N1C(=S)SC(C1=O)=C2C(=O)Nc3ccc(Br)cc23)C(O)=O | InChi: | InChI=1S/C15H9BrN2O6S2/c16-5-1-2-7-6(3-5)10(12(21)17-7)11-13(22)18(15(25)26-11)8(14(23)24)4-9(19)20/h1-3,8H,4H2,(H,17,21)(H,19,20)(H,23,24)/b11-10-/t8-/m1/s1 | Synonyms: | N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE | Definition date: | 2010-01-24 | Last modified: | 2020-06-17 | Identifier: | (2R)-2-[(5Z)-5-(5-bromo-2-oxo-1H-indol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid |
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