![C8X C8X](https://data.pdbj.org/pdbjplus/data/cc/svg/C8X.svg) | C8X | Name: | bis(2-hydroxyethyl) benzene-1,4-dicarboxylate | Formula: | C12 H14 O6 | SMILES: | OCCOC(=O)c1ccc(cc1)C(=O)OCCO | InChi: | InChI=1S/C12H14O6/c13-5-7-17-11(15)9-1-2-10(4-3-9)12(16)18-8-6-14/h1-4,13-14H,5-8H2 | Synonyms: | bis(2-hydroxyethyl) terephthalate | Definition date: | 2019-04-16 | Last modified: | 2020-06-17 | Release date: | 2020-04-15 | Identifier: | bis(2-hydroxyethyl) benzene-1,4-dicarboxylate |
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![UAA UAA](https://data.pdbj.org/pdbjplus/data/cc/svg/UAA.svg) | UAA | Name: | URACIL-6-ACETIC ACID | Formula: | C6 H6 N2 O4 | SMILES: | O=C1NC(=CC(=O)N1)CC(=O)O | InChi: | InChI=1S/C6H6N2O4/c9-4-1-3(2-5(10)11)7-6(12)8-4/h1H,2H2,(H,10,11)(H2,7,8,9,12) | Synonyms: | 6-CARBOXYMETHYLURACIL | Definition date: | 2002-01-14 | Last modified: | 2020-06-17 | Identifier: | (2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)acetic acid |
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![CAD CAD](https://data.pdbj.org/pdbjplus/data/cc/svg/CAD.svg) | CAD | Name: | CACODYLIC ACID | Formula: | C2 H7 As O2 | SMILES: | O=[As](O)(C)C | InChi: | InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5) | Synonyms: | HYDROXYDIMETHYLARSINE OXIDE | Definition date: | 1999-07-26 | Last modified: | 2020-06-17 | Identifier: | dimethylarsinic acid |
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![UCB UCB](https://data.pdbj.org/pdbjplus/data/cc/svg/UCB.svg) | UCB | Name: | 1-(CYCLOHEPTYLMETHYL)-4-{[(2,7-DICHLORO-9H-XANTHEN-9-YL)CARBONYL]AMINO}-1-ETHYLPIPERIDINIUM | Formula: | C29 H37 Cl2 N2 O2 | SMILES: | Clc5cc2c(Oc1ccc(Cl)cc1C2C(=O)NC4CC[N+](CC)(CC3CCCCCC3)CC4)cc5 | InChi: | InChI=1S/C29H36Cl2N2O2/c1-2-33(19-20-7-5-3-4-6-8-20)15-13-23(14-16-33)32-29(34)28-24-17-21(30)9-11-26(24)35-27-12-10-22(31)18-25(27)28/h9-12,17-18,20,23,28H,2-8,13-16,19H2,1H3/p+1/t23-,33- | Synonyms: | UCB35625 | Definition date: | 2004-12-07 | Last modified: | 2020-06-17 | Identifier: | trans-1-(cycloheptylmethyl)-4-{[(2,7-dichloro-9H-xanthen-9-yl)carbonyl]amino}-1-ethylpiperidinium |
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![8PL 8PL](https://data.pdbj.org/pdbjplus/data/cc/svg/8PL.svg) | 8PL | Name: | (2R)-2-(4-fluorophenyl)-2-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]ethanoic acid | Formula: | C12 H14 F N O3 S | SMILES: | C[CH](CS)C(=O)N[CH](C(O)=O)c1ccc(F)cc1 | InChi: | InChI=1S/C12H14FNO3S/c1-7(6-18)11(15)14-10(12(16)17)8-2-4-9(13)5-3-8/h2-5,7,10,18H,6H2,1H3,(H,14,15)(H,16,17)/t7-,10-/m1/s1 | Synonyms: | (R)-2-(4-fluorophenyl)-2-((S)-3-mercapto-2-methylpropanamido)acetic acid | Definition date: | 2017-08-24 | Last modified: | 2020-06-17 | Release date: | 2018-01-24 | Identifier: | (2~{R})-2-(4-fluorophenyl)-2-[[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]ethanoic acid |
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![8PR 8PR](https://data.pdbj.org/pdbjplus/data/cc/svg/8PR.svg) | 8PR | Name: | Paroxetine | Formula: | C19 H20 F N O3 | SMILES: | Fc1ccc(cc1)C2CCNCC2COc3ccc4OCOc4c3 | InChi: | InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1 | Synonyms: | (3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine | Definition date: | 2011-07-11 | Last modified: | 2020-06-17 | Release date: | 2012-09-21 | Identifier: | (3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine |
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![8Q1 8Q1](https://data.pdbj.org/pdbjplus/data/cc/svg/8Q1.svg) | 8Q1 | Name: | S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] dodecanethioate | Formula: | C23 H45 N2 O8 P S | SMILES: | O=C(CCCCCCCCCCC)SCCNC(CCNC(C(C(COP(=O)(O)O)(C)C)O)=O)=O | InChi: | InChI=1S/C23H45N2O8PS/c1-4-5-6-7-8-9-10-11-12-13-20(27)35-17-16-24-19(26)14-15-25-22(29)21(28)23(2,3)18-33-34(30,31)32/h21,28H,4-18H2,1-3H3,(H,24,26)(H,25,29)(H2,30,31,32)/t21-/m0/s1 | Synonyms: | S-dodecanoyl-4'-phosphopantetheine | Definition date: | 2017-02-28 | Last modified: | 2020-06-17 | Release date: | 2017-06-21 | Identifier: | S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] dodecanethioate |
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![UD2 UD2](https://data.pdbj.org/pdbjplus/data/cc/svg/UD2.svg) | UD2 | Name: | URIDINE-DIPHOSPHATE-N-ACETYLGALACTOSAMINE | Formula: | C17 H27 N3 O17 P2 | SMILES: | O=P(OC1OC(C(O)C(O)C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O | InChi: | InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11+,12-,13-,14-,15-,16-/m1/s1 | Synonyms: | (2R,3R,4R,5R,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl
[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen
diphosphate | Definition date: | 2001-02-21 | Last modified: | 2020-06-17 | Identifier: | (2R,3R,4R,5R,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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![UD6 UD6](https://data.pdbj.org/pdbjplus/data/cc/svg/UD6.svg) | UD6 | Name: | [[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]
[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-4,5-bis(oxidanyl)-3-(2-oxidanylidenepropyl)oxan-2-yl] hydrogen phosphate | Formula: | C18 H28 N2 O17 P2 | SMILES: | O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(O)C(O)C3CC(=O)C)CO)O)O | InChi: | InChI=1S/C18H28N2O17P2/c1-7(22)4-8-12(24)13(25)9(5-21)35-17(8)36-39(31,32)37-38(29,30)33-6-10-14(26)15(27)16(34-10)20-3-2-11(23)19-18(20)28/h2-3,8-10,12-17,21,24-27H,4-6H2,1H3,(H,29,30)(H,31,32)(H,19,23,28)/t8-,9-,10-,12-,13+,14-,15-,16-,17-/m1/s1 | Synonyms: | UDP-2-ketoGlc | Definition date: | 2011-05-11 | Last modified: | 2020-06-17 | Identifier: | (2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(2-oxopropyl)tetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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![8QP 8QP](https://data.pdbj.org/pdbjplus/data/cc/svg/8QP.svg) | 8QP | Name: | [(1S)-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid | Formula: | C17 H21 N O3 | SMILES: | c1(CC)c3c(ccc1)c2CCOC(CC(=O)O)(CC)c2n3 | InChi: | InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)/t17-/m0/s1 | Synonyms: | (S)-Etodolac | Definition date: | 2017-03-02 | Last modified: | 2020-06-17 | Release date: | 2017-03-15 | Identifier: | [(1S)-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid |
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![8QS 8QS](https://data.pdbj.org/pdbjplus/data/cc/svg/8QS.svg) | 8QS | Name: | [(1R)-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid | Formula: | C17 H21 N O3 | SMILES: | C1COC(CC(O)=O)(CC)c2nc3c(c12)cccc3CC | InChi: | InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)/t17-/m1/s1 | Synonyms: | (R)-Etodolac | Definition date: | 2017-03-02 | Last modified: | 2020-06-17 | Release date: | 2017-03-15 | Identifier: | [(1R)-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid |
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![UDM UDM](https://data.pdbj.org/pdbjplus/data/cc/svg/UDM.svg) | UDM | Name: | URIDINE-DIPHOSPHATE-METHYLENE-N-ACETYL-GLUCOSAMINE | Formula: | C18 H29 N3 O16 P2 | SMILES: | CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1C[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O | InChi: | InChI=1S/C18H29N3O16P2/c1-7(23)19-12-10(35-8(4-22)13(25)15(12)27)6-38(30,31)37-39(32,33)34-5-9-14(26)16(28)17(36-9)21-3-2-11(24)20-18(21)29/h2-3,8-10,12-17,22,25-28H,4-6H2,1H3,(H,19,23)(H,30,31)(H,32,33)(H,20,24,29)/t8-,9-,10-,12+,13-,14-,15-,16-,17-/m1/s1 | Synonyms: | ((2S,3R,4R,5S,6R)-3-ACETAMIDO-4,5-DIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YL)METHYLPHOSPHONIC
(((2R,3S,4R,5R)-5-(2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL)METHYL PHOSPHORIC)
ANHYDRIDE | Definition date: | 2005-09-21 | Last modified: | 2020-06-17 | Identifier: | [(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-phosphinic acid |
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![8QT 8QT](https://data.pdbj.org/pdbjplus/data/cc/svg/8QT.svg) | 8QT | Name: | (2~{R},3~{S})-3-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]pentan-2-ol | Formula: | C19 H27 N7 O | SMILES: | CC[CH](Nc1nc(NCc2cccnc2)c3ncn(C(C)C)c3n1)[CH](C)O | InChi: | InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-7-6-8-20-9-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13-,15+/m1/s1 | Synonyms: | CCT068127 | Definition date: | 2016-12-05 | Last modified: | 2020-06-17 | Release date: | 2017-12-20 | Identifier: | (2~{R},3~{S})-3-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]pentan-2-ol |
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![8RC 8RC](https://data.pdbj.org/pdbjplus/data/cc/svg/8RC.svg) | 8RC | Name: | 6-ethyl-3-[[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]oxy-pyrazin
e-2-carboxamide | Formula: | C30 H42 N8 O3 | SMILES: | CCc1nc(C(N)=O)c(Nc2ccc(cc2)N3CCC(CC3)N4CCN(C)CC4)nc1O[CH]5CCN(C5)C(=O)C=C | InChi: | InChI=1S/C30H42N8O3/c1-4-25-30(41-24-12-15-38(20-24)26(39)5-2)34-29(27(33-25)28(31)40)32-21-6-8-22(9-7-21)36-13-10-23(11-14-36)37-18-16-35(3)17-19-37/h5-9,23-24H,2,4,10-20H2,1,3H3,(H2,31,40)(H,32,34)/t24-/m1/s1 | Synonyms: | Naquotinib | Definition date: | 2017-08-31 | Last modified: | 2020-06-17 | Release date: | 2018-07-11 | Identifier: | 6-ethyl-3-[[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-[(3~{R})-1-prop-2-enoylpyrrolidin-3-yl]oxy-pyrazine-2-carboxamide |
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![UF2 UF2](https://data.pdbj.org/pdbjplus/data/cc/svg/UF2.svg) | UF2 | Name: | 1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione | Formula: | C9 H12 F N2 O8 P | SMILES: | O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(F)C2O | InChi: | InChI=1S/C9H12FN2O8P/c10-6-7(14)4(3-19-21(16,17)18)20-8(6)12-2-1-5(13)11-9(12)15/h1-2,4,6-8,14H,3H2,(H,11,13,15)(H2,16,17,18)/t4-,6+,7-,8-/m1/s1 | Synonyms: | 2'-fluoro-2'-deoxyuridine | Definition date: | 2011-11-04 | Last modified: | 2020-06-17 | Identifier: | 1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione |
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![8V2 8V2](https://data.pdbj.org/pdbjplus/data/cc/svg/8V2.svg) | 8V2 | Name: | methyl
(3~{S},7~{R},10~{R},13~{R})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylid
ene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,
7}]tridec-8-ene-13-carboxylate | Formula: | C36 H42 Cl N5 O7 | SMILES: | COC(=O)[CH]1CC[CH]2C=C[CH]3CCN([CH]3C(=O)N12)C(=O)[CH]4CC[CH]5C=C[C]6(CCCN6C(=O)[CH](Cc7ccccc7Cl)NC(C)=O)C(=O)N45 | InChi: | InChI=1S/C36H42ClN5O7/c1-21(43)38-27(20-23-6-3-4-7-26(23)37)31(44)40-18-5-16-36(40)17-14-25-10-12-28(42(25)35(36)48)32(45)39-19-15-22-8-9-24-11-13-29(34(47)49-2)41(24)33(46)30(22)39/h3-4,6-9,14,17,22,24-25,27-30H,5,10-13,15-16,18-20H2,1-2H3,(H,38,43)/t22-,24-,25-,27-,28-,29+,30-,36+/m0/s1 | Synonyms: | Ac-[2-Cl-F]-[ProM-2]-[ProM-12]-OMe | Definition date: | 2017-03-10 | Last modified: | 2020-06-17 | Release date: | 2018-03-21 | Identifier: | methyl (3~{S},7~{R},10~{R},13~{R})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylate |
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![8VY 8VY](https://data.pdbj.org/pdbjplus/data/cc/svg/8VY.svg) | 8VY | Name: | 1,3-bis(bromomethyl)benzene | Formula: | C8 H8 Br2 | SMILES: | BrCc1cccc(CBr)c1 | InChi: | InChI=1S/C8H8Br2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6H2 | Synonyms: | alpha,alpha'-dibromo-m-xylene | Definition date: | 2017-03-08 | Last modified: | 2020-06-17 | Release date: | 2017-07-19 | Identifier: | 1,3-bis(bromomethyl)benzene |
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![8W3 8W3](https://data.pdbj.org/pdbjplus/data/cc/svg/8W3.svg) | 8W3 | Name: | 2-amino-4-((R)-1-((R,Z)-6-(5-chloro-2-methoxybenzyl)-7-oxo-3-(phenoxyimino)-1,4-diazepane-1-carboxamido)propyl)benzoic
acid | Formula: | C30 H32 Cl N5 O6 | SMILES: | CC[CH](NC(=O)N1CC(NC[CH](Cc2cc(Cl)ccc2OC)C1=O)=NOc3ccccc3)c4ccc(C(O)=O)c(N)c4 | InChi: | InChI=1S/C30H32ClN5O6/c1-3-25(18-9-11-23(29(38)39)24(32)15-18)34-30(40)36-17-27(35-42-22-7-5-4-6-8-22)33-16-20(28(36)37)13-19-14-21(31)10-12-26(19)41-2/h4-12,14-15,20,25H,3,13,16-17,32H2,1-2H3,(H,33,35)(H,34,40)(H,38,39)/t20-,25-/m1/s1 | Synonyms: | 2-azanyl-4-[(1R)-1-[[(3Z,6R)-6-[(5-chloranyl-2-methoxy-phenyl)methyl]-7-oxidanylidene-3-phenoxyimino-1,4-diazepan-1-yl]
carbonylamino]propyl]benzoic acid | Definition date: | 2017-10-12 | Last modified: | 2020-06-17 | Release date: | 2017-12-27 | Identifier: | 2-azanyl-4-[(1~{R})-1-[[(3~{Z},6~{R})-6-[(5-chloranyl-2-methoxy-phenyl)methyl]-7-oxidanylidene-3-phenoxyimino-1,4-diazepan-1-yl]carbonylamino]propyl]benzoic acid |
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![8WF 8WF](https://data.pdbj.org/pdbjplus/data/cc/svg/8WF.svg) | 8WF | Name: | 2-dodecyl-1-oxidanidyl-quinolin-1-ium-4-ol | Formula: | C21 H31 N O2 | SMILES: | CCCCCCCCCCCCc1cc(O)c2ccccc2[n+]1[O-] | InChi: | InChI=1S/C21H31NO2/c1-2-3-4-5-6-7-8-9-10-11-14-18-17-21(23)19-15-12-13-16-20(19)22(18)24/h12-13,15-17,23H,2-11,14H2,1H3 | Synonyms: | 2-dodecyl -4-HYDROXY QUINOLINE N-OXIDE | Definition date: | 2017-10-16 | Last modified: | 2020-06-17 | Release date: | 2018-02-14 | Identifier: | 2-dodecyl-1-oxidanidyl-quinolin-1-ium-4-ol |
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![8YA 8YA](https://data.pdbj.org/pdbjplus/data/cc/svg/8YA.svg) | 8YA | Name: | 3-amino-1-{4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl}propan-1-one | Formula: | C23 H23 Cl F N7 O | SMILES: | c4cc(C)c(c1c(Cl)cc2c(ncnc2c1F)N3CCN(C(CCN)=O)CC3)c5cnnc45 | InChi: | InChI=1S/C23H23ClFN7O/c1-13-2-3-17-15(11-29-30-17)19(13)20-16(24)10-14-22(21(20)25)27-12-28-23(14)32-8-6-31(7-9-32)18(33)4-5-26/h2-3,10-12H,4-9,26H2,1H3,(H,29,30) | Synonyms: | KRAS(G12C) inhibitor, aziridine form, bound form | Definition date: | 2017-03-20 | Last modified: | 2020-06-17 | Release date: | 2017-06-28 | Identifier: | 3-amino-1-{4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl}propan-1-one |
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![8YF 8YF](https://data.pdbj.org/pdbjplus/data/cc/svg/8YF.svg) | 8YF | Name: | (2R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1H-pyrrole
-5-carboxylic acid | Formula: | C12 H19 N3 O5 S | SMILES: | C[CH](O)[CH]([CH]1CC(=C(N1)C(O)=O)SCCNC=N)C(O)=O | InChi: | InChI=1S/C12H19N3O5S/c1-6(16)9(11(17)18)7-4-8(10(15-7)12(19)20)21-3-2-14-5-13/h5-7,9,15-16H,2-4H2,1H3,(H2,13,14)(H,17,18)(H,19,20)/t6-,7-,9-/m1/s1 | Synonyms: | Imipenem, hydrolyzed form | Definition date: | 2017-11-08 | Last modified: | 2020-06-17 | Release date: | 2018-02-21 | Identifier: | (2~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1~{H}-pyrrole-5-carboxylic acid |
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![SLA SLA](https://data.pdbj.org/pdbjplus/data/cc/svg/SLA.svg) | SLA | Name: | Omuralide, open form | Formula: | C10 H17 N O4 | SMILES: | O=CC1(NC(=O)C(C1O)C)C(O)C(C)C | InChi: | InChI=1S/C10H17NO4/c1-5(2)7(13)10(4-12)8(14)6(3)9(15)11-10/h4-8,13-14H,1-3H3,(H,11,15)/t6-,7+,8+,10-/m1/s1 | Synonyms: | (2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidine-2-carbaldehyde | Definition date: | 2011-06-04 | Last modified: | 2020-06-17 | Identifier: | (2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidine-2-carbaldehyde |
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![8YL 8YL](https://data.pdbj.org/pdbjplus/data/cc/svg/8YL.svg) | 8YL | Name: | (2S,3R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfan
yl-3-methyl-2,3-dihydro-1H-pyrrole-5-carboxylic acid | Formula: | C17 H27 N3 O6 S | SMILES: | C[CH](O)[CH]([CH]1NC(=C(S[CH]2CN[CH](C2)C(=O)N(C)C)[CH]1C)C(O)=O)C(O)=O | InChi: | InChI=1S/C17H27N3O6S/c1-7-12(11(8(2)21)16(23)24)19-13(17(25)26)14(7)27-9-5-10(18-6-9)15(22)20(3)4/h7-12,18-19,21H,5-6H2,1-4H3,(H,23,24)(H,25,26)/t7-,8-,9+,10+,11-,12-/m1/s1 | Synonyms: | Meropenem, hydrolyzed form | Definition date: | 2017-11-08 | Last modified: | 2020-06-17 | Release date: | 2017-12-13 | Identifier: | (2~{S},3~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-3-methyl-2,3-dihydro-1~{H}-pyrrole-5-carboxylic acid |
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![8Z0 8Z0](https://data.pdbj.org/pdbjplus/data/cc/svg/8Z0.svg) | 8Z0 | Name: | (4R)-N-[(2,6-dimethylphenyl)methyl]-3-[(2S,3S)-3-[[(2S)-2-[(7-methoxy-1-benzofuran-2-yl)carbonylamino]-2-[(3R)-oxolan-3
-yl]ethanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide | Formula: | C41 H48 N4 O8 S | SMILES: | COc1cccc2cc(oc12)C(=O)N[CH]([CH]3CCOC3)C(=O)N[CH](Cc4ccccc4)[CH](O)C(=O)N5CSC(C)(C)[CH]5C(=O)NCc6c(C)cccc6C | InChi: | InChI=1S/C41H48N4O8S/c1-24-11-9-12-25(2)29(24)21-42-39(49)36-41(3,4)54-23-45(36)40(50)34(46)30(19-26-13-7-6-8-14-26)43-38(48)33(28-17-18-52-22-28)44-37(47)32-20-27-15-10-16-31(51-5)35(27)53-32/h6-16,20,28,30,33-34,36,46H,17-19,21-23H2,1-5H3,(H,42,49)(H,43,48)(H,44,47)/t28-,30-,33-,34-,36+/m0/s1 | Synonyms: | KNI-1657 | Definition date: | 2017-11-09 | Last modified: | 2020-06-17 | Release date: | 2018-07-11 | Identifier: | (4~{R})-~{N}-[(2,6-dimethylphenyl)methyl]-3-[(2~{S},3~{S})-3-[[(2~{S})-2-[(7-methoxy-1-benzofuran-2-yl)carbonylamino]-2-[(3~{R})-oxolan-3-yl]ethanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide |
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![SM4 SM4](https://data.pdbj.org/pdbjplus/data/cc/svg/SM4.svg) | SM4 | Name: | (1R)-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-1-(3-(2-CARBOXYVINYL)-PHENYL) METHYLBORONIC ACID | Formula: | C16 H16 B N O5 S | SMILES: | O=C(NC(B(O)O)c1cccc(C=CC(=O)O)c1)Cc2sccc2 | InChi: | InChI=1S/C16H16BNO5S/c19-14(10-13-5-2-8-24-13)18-16(17(22)23)12-4-1-3-11(9-12)6-7-15(20)21/h1-9,16,22-23H,10H2,(H,18,19)(H,20,21)/b7-6+/t16-/m0/s1 | Synonyms: | (2E)-3-(3-{(R)-(DIHYDROXYBORYL)[(2-THIENYLACETYL)AMINO]METHYL}PHENYL)ACRYLIC ACID | Definition date: | 2006-09-06 | Last modified: | 2020-06-17 | Identifier: | (2E)-3-(3-{(R)-(dihydroxyboranyl)[(thiophen-2-ylacetyl)amino]methyl}phenyl)prop-2-enoic acid |
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