![9PC 9PC](https://data.pdbj.org/pdbjplus/data/cc/svg/9PC.svg) | 9PC | Name: | 3-[(6-chloro[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide | Formula: | C14 H8 Cl F2 N3 O2 S | SMILES: | Fc3ccc(OCc1nc2cc(Cl)cnc2s1)c(F)c3C(=O)N | InChi: | InChI=1S/C14H8ClF2N3O2S/c15-6-3-8-14(19-4-6)23-10(20-8)5-22-9-2-1-7(16)11(12(9)17)13(18)21/h1-4H,5H2,(H2,18,21) | Synonyms: | PC190723 | Definition date: | 2012-01-27 | Last modified: | 2021-03-01 | Identifier: | 3-[(6-chloro[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide |
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![9PD 9PD](https://data.pdbj.org/pdbjplus/data/cc/svg/9PD.svg) | 9PD | Name: | Dodecyldimethylphosphine oxide | Formula: | C14 H31 O P | SMILES: | CCCCCCCCCCCCP(=O)(C)C | InChi: | InChI=1S/C14H31OP/c1-4-5-6-7-8-9-10-11-12-13-14-16(2,3)15/h4-14H2,1-3H3 | Synonyms: | APO-12 | Definition date: | 2020-04-16 | Last modified: | 2021-03-01 | Release date: | 2020-10-28 | Identifier: | dodecyl(dimethyl)oxo-lambda~5~-phosphane |
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![9PE 9PE](https://data.pdbj.org/pdbjplus/data/cc/svg/9PE.svg) | 9PE | Name: | (1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(heptanoyloxy)methyl]ethyl octadecanoate | Formula: | C30 H60 N O8 P | SMILES: | O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(OCCN)O)CCCCCC | InChi: | InChI=1S/C30H60NO8P/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-30(33)39-28(27-38-40(34,35)37-25-24-31)26-36-29(32)22-20-8-6-4-2/h28H,3-27,31H2,1-2H3,(H,34,35)/t28-/m1/s1 | Synonyms: | 3-SN-PHOSPHATIDYLETHANOLAMINE | Definition date: | 2008-04-28 | Last modified: | 2021-03-01 | Identifier: | (1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(heptanoyloxy)methyl]ethyl octadecanoate |
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![9PL 9PL](https://data.pdbj.org/pdbjplus/data/cc/svg/9PL.svg) | 9PL | Name: | (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one | Formula: | C11 H16 N2 O2 | SMILES: | O=C2OCC(Cc1n(cnc1)C)C2CC | InChi: | InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1 | Synonyms: | PILOCARPINE | Definition date: | 2011-07-26 | Last modified: | 2021-03-01 | Identifier: | (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one |
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![9QY 9QY](https://data.pdbj.org/pdbjplus/data/cc/svg/9QY.svg) | 9QY | Name: | methyl 2-[2-(1-benzyl-1H-imidazol-2-yl)ethyl]-3-chloro-4,6-dihydroxybenzoate | Formula: | C20 H19 Cl N2 O4 | SMILES: | COC(=O)c3c(cc(c(c3CCc2nccn2Cc1ccccc1)Cl)O)O | InChi: | InChI=1S/C20H19ClN2O4/c1-27-20(26)18-14(19(21)16(25)11-15(18)24)7-8-17-22-9-10-23(17)12-13-5-3-2-4-6-13/h2-6,9-11,24-25H,7-8,12H2,1H3 | Synonyms: | resorcinylic inhibitor BnIm | Definition date: | 2017-06-01 | Last modified: | 2021-03-01 | Release date: | 2018-04-18 | Identifier: | methyl 2-[2-(1-benzyl-1H-imidazol-2-yl)ethyl]-3-chloro-4,6-dihydroxybenzoate |
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![RXT RXT](https://data.pdbj.org/pdbjplus/data/cc/svg/RXT.svg) | RXT | Name: | (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile | Formula: | C17 H18 N6 | SMILES: | N#CCC(n1ncc(c1)c3ncnc2c3ccn2)C4CCCC4 | InChi: | InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1 | Synonyms: | Ruxolitinib | Definition date: | 2014-07-31 | Last modified: | 2021-03-01 | Release date: | 2014-09-17 | Identifier: | (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile |
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![9SC 9SC](https://data.pdbj.org/pdbjplus/data/cc/svg/9SC.svg) | 9SC | Name: | 7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one | Formula: | C23 H27 Cl2 N3 O2 | SMILES: | Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl | InChi: | InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29) | Synonyms: | Aripiprazole | Definition date: | 2018-07-11 | Last modified: | 2021-03-01 | Release date: | 2018-10-24 | Identifier: | 7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1~{H}-quinolin-2-one |
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![9SL 9SL](https://data.pdbj.org/pdbjplus/data/cc/svg/9SL.svg) | 9SL | Name: | [(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-3H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate | Formula: | C10 H17 N7 O4 | SMILES: | C132C(CCN1C(=NC(COC(=O)N)C2NC(=N3)N)N)(O)O | InChi: | InChI=1S/C10H17N7O4/c11-6-15-5-4(3-21-8(13)18)14-7(12)17-2-1-9(19,20)10(5,17)16-6/h4-5,19-20H,1-3H2,(H2,12,14)(H2,13,18)(H3,11,15,16)/t4-,5-,10-/m0/s1 | Synonyms: | Saxitoxin | Definition date: | 2018-07-18 | Last modified: | 2021-03-01 | Release date: | 2018-08-08 | Identifier: | [(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-3H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate |
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![9SR 9SR](https://data.pdbj.org/pdbjplus/data/cc/svg/9SR.svg) | 9SR | Name: | (1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name) | Formula: | C11 H17 N3 O8 | SMILES: | N1C32C(C(N=C1N)O)C4C(CO)(C(C2O)OC(C3O)(O4)O)O | InChi: | InChI=1S/C11H17N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h2-7,15-20H,1H2,(H3,12,13,14)/t2-,3-,4-,5+,6-,7+,9+,10-,11+/m1/s1 | Synonyms: | Tetrodotoxin | Definition date: | 2018-07-18 | Last modified: | 2021-03-01 | Release date: | 2018-08-08 | Identifier: | (1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name) |
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![9SV 9SV](https://data.pdbj.org/pdbjplus/data/cc/svg/9SV.svg) | 9SV | Name: | 2-(4-methylpiperazin-1-yl)-3-(phenylsulfanyl)naphthalene-1,4-dione | Formula: | C21 H20 N2 O2 S | SMILES: | C1N(CCN(C1)C2=C(C(c3ccccc3C2=O)=O)Sc4ccccc4)C | InChi: | InChI=1S/C21H20N2O2S/c1-22-11-13-23(14-12-22)18-19(24)16-9-5-6-10-17(16)20(25)21(18)26-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3 | Synonyms: | BOUND FORM | Definition date: | 2017-06-07 | Last modified: | 2021-03-01 | Release date: | 2017-06-21 | Identifier: | 2-(4-methylpiperazin-1-yl)-3-(phenylsulfanyl)naphthalene-1,4-dione |
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![9TB 9TB](https://data.pdbj.org/pdbjplus/data/cc/svg/9TB.svg) | 9TB | Name: | (2~{S})-2-[[(2~{S})-6-[(4-fluorophenyl)methylamino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid | Formula: | C19 H24 F N3 O8 | SMILES: | OC(=O)CC[CH](NC(=O)N[CH](CCCC(=O)NCc1ccc(F)cc1)C(O)=O)C(O)=O | InChi: | InChI=1S/C19H24FN3O8/c20-12-6-4-11(5-7-12)10-21-15(24)3-1-2-13(17(27)28)22-19(31)23-14(18(29)30)8-9-16(25)26/h4-7,13-14H,1-3,8-10H2,(H,21,24)(H,25,26)(H,27,28)(H,29,30)(H2,22,23,31)/t13-,14-/m0/s1 | Synonyms: | CFBzOG | Definition date: | 2017-07-10 | Last modified: | 2021-03-01 | Release date: | 2018-08-01 | Identifier: | (2~{S})-2-[[(2~{S})-6-[(4-fluorophenyl)methylamino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid |
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![RZX RZX](https://data.pdbj.org/pdbjplus/data/cc/svg/RZX.svg) | RZX | Name: | 2-[(R)-{[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl}sulfinyl]-1H-benzimidazole | Formula: | C18 H21 N3 O3 S | SMILES: | O=S(c2nc1ccccc1n2)Cc3nccc(OCCCOC)c3C | InChi: | InChI=1S/C18H21N3O3S/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)/t25-/m1/s1 | Synonyms: | Rabeprazole | Definition date: | 2010-11-09 | Last modified: | 2021-03-01 | Identifier: | 2-[(R)-{[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl}sulfinyl]-1H-benzimidazole |
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![S02 S02](https://data.pdbj.org/pdbjplus/data/cc/svg/S02.svg) | S02 | Name: | PHOSPHORIC ACID MONO-[2-(4-{2-[4-(2-HYDROXY-ETHOXY)-CYCLOHEXYLIDENE]-ETHYLIDENE}-CYCLOHEXYLOXY) -ETHYL] ESTER | Formula: | C18 H31 O7 P | SMILES: | O=P(O)(O)OCCOC2CC/C(=C/C=C1CCC(OCCO)CC1)CC2 | InChi: | InChI=1S/C18H31O7P/c19-11-12-23-17-7-3-15(4-8-17)1-2-16-5-9-18(10-6-16)24-13-14-25-26(20,21)22/h1-2,17-19H,3-14H2,(H2,20,21,22)/b15-1-,16-2-/t17-,18-/m1/s1 | Synonyms: | STILBENEDIETHER NUCLEOTIDE LINKER | Definition date: | 1999-08-18 | Last modified: | 2021-03-01 | Identifier: | 2-{[(1R,4Z)-4-{(2Z)-2-[(4R)-4-(2-hydroxyethoxy)cyclohexylidene]ethylidene}cyclohexyl]oxy}ethyl dihydrogen phosphate |
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![S2A S2A](https://data.pdbj.org/pdbjplus/data/cc/svg/S2A.svg) | S2A | Name: | (1R,3A'S,10'S,10A'R)-7-METHOXY-2-OXO-10',10A'-DIHYDRO-2H,3A'H-SPIRO[NAPHTHALENE-1,3'-PENTALENO[1,2-B]NAPHTHALEN]-10'-YL 2,6-DIDEOXY-2-(METHYLAMINO)-ALPHA-D-GALACTOPYRANOSIDE | Formula: | C33 H33 N O6 | SMILES: | O=C7C=Cc1ccc(OC)cc1C76C=CC5C(OC2OC(C(O)C(O)C2NC)C)c4cc3ccccc3cc4C56 | InChi: | InChI=1S/C33H33NO6/c1-17-29(36)30(37)28(34-2)32(39-17)40-31-22-12-13-33(25-16-21(38-3)10-8-18(25)9-11-26(33)35)27(22)23-14-19-6-4-5-7-20(19)15-24(23)31/h4-17,22,27-32,34,36-37H,1-3H3/t17-,22-,27+,28-,29+,30-,31+,32-,33-/m1/s1 | Synonyms: | SPIROCYCLIC ALKENE | Definition date: | 2007-01-10 | Last modified: | 2021-03-01 | Identifier: | (1R,3a'S,10'S,10a'R)-7-methoxy-2-oxo-10',10a'-dihydro-2H,3a'H-spiro[naphthalene-1,3'-pentaleno[1,2-b]naphthalen]-10'-yl 2,6-dideoxy-2-(methylamino)-alpha-D-galactopyranoside |
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![S4E S4E](https://data.pdbj.org/pdbjplus/data/cc/svg/S4E.svg) | S4E | Name: | N-(2-(2-cyclopropylethoxy)pyrimidin-5-yl)-7-methoxy-6-(piperidin-4-ylmethoxy)quinazolin-4-amine | Formula: | C24 H30 N6 O3 | SMILES: | COc1cc2ncnc(Nc3cnc(OCCC4CC4)nc3)c2cc1OCC5CCNCC5 | InChi: | InChI=1S/C24H30N6O3/c1-31-21-11-20-19(10-22(21)33-14-17-4-7-25-8-5-17)23(29-15-28-20)30-18-12-26-24(27-13-18)32-9-6-16-2-3-16/h10-13,15-17,25H,2-9,14H2,1H3,(H,28,29,30) | Synonyms: | ~{N}-[2-(2-cyclopropylethoxy)pyrimidin-5-yl]-7-methoxy-6-(piperidin-4-ylmethoxy)quinazolin-4-amine | Definition date: | 2020-11-06 | Last modified: | 2021-03-01 | Release date: | 2021-03-03 | Identifier: | ~{N}-[2-(2-cyclopropylethoxy)pyrimidin-5-yl]-7-methoxy-6-(piperidin-4-ylmethoxy)quinazolin-4-amine |
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![9Y6 9Y6](https://data.pdbj.org/pdbjplus/data/cc/svg/9Y6.svg) | 9Y6 | Name: | (2E)-3-phenylprop-2-enal | Formula: | C9 H8 O | SMILES: | c1cccc(c1)C=[C@H]C=O | InChi: | InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+ | Synonyms: | Trans-Cinnamaldehyde | Definition date: | 2018-08-29 | Last modified: | 2021-03-01 | Release date: | 2019-08-14 | Identifier: | (2E)-3-phenylprop-2-enal |
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![9YL 9YL](https://data.pdbj.org/pdbjplus/data/cc/svg/9YL.svg) | 9YL | Name: | ethyl (2R)-2-oxidanylpropanoate | Formula: | C5 H10 O3 | SMILES: | CCOC(=O)[CH](C)O | InChi: | InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3/t4-/m1/s1 | Synonyms: | Ethyl lactate | Definition date: | 2018-08-30 | Last modified: | 2021-03-01 | Release date: | 2019-02-27 | Identifier: | ethyl (2~{R})-2-oxidanylpropanoate |
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![9Z1 9Z1](https://data.pdbj.org/pdbjplus/data/cc/svg/9Z1.svg) | 9Z1 | Name: | (3E,7aR,12aS)-6-hydroxy-3-[(1H-imidazol-4-yl)methylidene]-12-methoxy-7a-(2-methylbut-3-en-2-yl)-7a,12-dihydro-1H,5H-imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione | Formula: | C23 H23 N5 O4 | SMILES: | CC(C)(C35C2(NC(C(=C/c1cncn1)N2C(C(=C3)O)=O)=O)N(c4ccccc45)OC)/C=C | InChi: | InChI=1S/C23H23N5O4/c1-5-21(2,3)22-11-18(29)20(31)27-17(10-14-12-24-13-25-14)19(30)26-23(22,27)28(32-4)16-9-7-6-8-15(16)22/h5-13,29H,1H2,2-4H3,(H,24,25)(H,26,30)/b17-10+/t22-,23-/m0/s1 | Synonyms: | Meleagrin | Definition date: | 2017-06-27 | Last modified: | 2021-03-01 | Release date: | 2018-06-27 | Identifier: | (3E,7aR,12aS)-6-hydroxy-3-[(1H-imidazol-4-yl)methylidene]-12-methoxy-7a-(2-methylbut-3-en-2-yl)-7a,12-dihydro-1H,5H-imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione |
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![S5P S5P](https://data.pdbj.org/pdbjplus/data/cc/svg/S5P.svg) | S5P | Name: | 6-sulfanyluridine-5'-phosphate | Formula: | C9 H13 N2 O9 P S | SMILES: | O=C1NC(=O)N(C(S)=C1)C2OC(C(O)C2O)COP(=O)(O)O | InChi: | InChI=1S/C9H13N2O9PS/c12-4-1-5(22)11(9(15)10-4)8-7(14)6(13)3(20-8)2-19-21(16,17)18/h1,3,6-8,13-14,22H,2H2,(H,10,12,15)(H2,16,17,18)/t3-,6-,7-,8-/m1/s1 | Synonyms: | 6-mercaptouridine-5'-monophosphate | Definition date: | 2008-10-23 | Last modified: | 2021-03-01 | Identifier: | 6-sulfanyluridine 5'-(dihydrogen phosphate) |
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![A02 A02](https://data.pdbj.org/pdbjplus/data/cc/svg/A02.svg) | A02 | Name: | (10R,20R,23R)-10-(4-aminobutyl)-1-[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-20,23-bis(3-carbamimidamidopropyl)-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amide | Formula: | C40 H70 N18 O9 | SMILES: | O=C(N)C(NC(=O)C(NC(=O)CCCCCNC(=O)C(NC(=O)CCCCCNC(=O)C3OC(n2cnc1c(ncnc12)N)C(O)C3O)CCCCN)CCCNC(=[N@H])N)CCCNC(=[N@H])N | InChi: | InChI=1S/C40H70N18O9/c41-16-6-5-11-24(55-26(59)14-4-2-8-18-49-37(66)31-29(61)30(62)38(67-31)58-22-54-28-32(42)52-21-53-34(28)58)35(64)48-17-7-1-3-15-27(60)56-25(13-10-20-51-40(46)47)36(65)57-23(33(43)63)12-9-19-50-39(44)45/h21-25,29-31,38,61-62H,1-20,41H2,(H2,43,63)(H,48,64)(H,49,66)(H,55,59)(H,56,60)(H,57,65)(H2,42,52,53)(H4,44,45,50)(H4,46,47,51)/t23-,24-,25-,29+,30-,31+,38-/m1/s1 | Synonyms: | ARC-1012 | Definition date: | 2010-05-27 | Last modified: | 2021-03-01 | Identifier: | (10R,20R,23R)-10-(4-aminobutyl)-1-[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-20,23-bis(3-carbamimidamidopropyl)-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amide (non-preferred name) |
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![223 223](https://data.pdbj.org/pdbjplus/data/cc/svg/223.svg) | 223 | Name: | (3R,4R)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-(HYDROXYMETHYL)PYRROLIDIN-3-OL | Formula: | C12 H17 N5 O2 | SMILES: | OCC3CN(Cc2cnc1c2ncnc1N)CC3O | InChi: | InChI=1S/C12H17N5O2/c13-12-11-10(15-6-16-12)7(1-14-11)2-17-3-8(5-18)9(19)4-17/h1,6,8-9,14,18-19H,2-5H2,(H2,13,15,16)/t8-,9+/m1/s1 | Synonyms: | 4'-DEAZA-1'-AZA-2'-DEOXY-1'-(9-METHYLENE)-IMMUCILLIN-A | Definition date: | 2006-10-24 | Last modified: | 2021-03-01 | Identifier: | (3R,4R)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(hydroxymethyl)pyrrolidin-3-ol |
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![S80 S80](https://data.pdbj.org/pdbjplus/data/cc/svg/S80.svg) | S80 | Name: | N1-HYDROXY-2-(3-HYDROXY-PROPYL)-3-ISOBUTYL-N4-[1-(2-METHOXY-ETHYL)-2-OXO-AZEPAN-3-YL]-SUCCINAMIDE | Formula: | C20 H37 N3 O6 | SMILES: | O=C(NO)C(CCCO)C(C(=O)NC1C(=O)N(CCOC)CCCC1)CC(C)C | InChi: | InChI=1S/C20H37N3O6/c1-14(2)13-16(15(7-6-11-24)19(26)22-28)18(25)21-17-8-4-5-9-23(20(17)27)10-12-29-3/h14-17,24,28H,4-13H2,1-3H3,(H,21,25)(H,22,26)/t15-,16+,17-/m0/s1 | Synonyms: | A DISUBSTITUTED SUCCINYL CAPROLACTAM HYDROXYMATE MMP3 INHIBITOR | Definition date: | 1999-07-08 | Last modified: | 2021-03-01 | Identifier: | (2S,3R)-N~1~-hydroxy-2-(3-hydroxypropyl)-N~4~-[(3S)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-3-(2-methylpropyl)butanediamide |
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![22F 22F](https://data.pdbj.org/pdbjplus/data/cc/svg/22F.svg) | 22F | Name: | (4-fluorophenyl)(pyridin-4-yl)methanone | Formula: | C12 H8 F N O | SMILES: | O=C(c1ccc(F)cc1)c2ccncc2 | InChi: | InChI=1S/C12H8FNO/c13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10/h1-8H | Synonyms: | 4-(4-fluorobenzoyl)pyridine | Definition date: | 2009-01-20 | Last modified: | 2021-03-01 | Identifier: | (4-fluorophenyl)(pyridin-4-yl)methanone |
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![22N 22N](https://data.pdbj.org/pdbjplus/data/cc/svg/22N.svg) | 22N | Name: | (3R,4S,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid | Formula: | C14 H24 N2 O4 | SMILES: | O=C(O)C1=CC(OC(CC)CC)C(NC(=O)C)C(N)C1 | InChi: | InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13-/m0/s1 | Synonyms: | stereomutated oseltamivir carboxylate | Definition date: | 2013-08-23 | Last modified: | 2021-03-01 | Release date: | 2014-02-12 | Identifier: | (3R,4S,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid |
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![230 230](https://data.pdbj.org/pdbjplus/data/cc/svg/230.svg) | 230 | Name: | (2R,4R)-N~1~-(4-CHLOROPHENYL)-N~2~-[2-FLUORO-4-(2-OXOPYRIDIN-1(2H)-YL)PHENYL]-4-METHOXYPYRROLIDINE-1,2-DICARBOXAMIDE | Formula: | C24 H22 Cl F N4 O4 | SMILES: | Clc1ccc(cc1)NC(=O)N2CC(OC)CC2C(=O)Nc3c(F)cc(cc3)N4C=CC=CC4=O | InChi: | InChI=1S/C24H22ClFN4O4/c1-34-18-13-21(30(14-18)24(33)27-16-7-5-15(25)6-8-16)23(32)28-20-10-9-17(12-19(20)26)29-11-3-2-4-22(29)31/h2-12,18,21H,13-14H2,1H3,(H,27,33)(H,28,32)/t18-,21-/m1/s1 | Synonyms: | PD-0348292 | Definition date: | 2007-04-26 | Last modified: | 2021-03-01 | Identifier: | (2R,4R)-N~1~-(4-chlorophenyl)-N~2~-[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide |
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