![NXQ NXQ](https://data.pdbj.org/pdbjplus/data/cc/svg/NXQ.svg) | NXQ | Name: | 2-[5-fluoranyl-2-[[3-[methyl(oxidanyl)-$l^{3}-sulfanyl]phenyl]methylcarbamoyl]phenoxy]ethanoic acid | Formula: | C17 H17 F N O5 S | SMILES: | C[S-](O)c1cccc(CNC(=O)c2ccc(F)cc2OCC(O)=O)c1 | InChi: | InChI=1S/C17H17FNO5S/c1-25(23)13-4-2-3-11(7-13)9-19-17(22)14-6-5-12(18)8-15(14)24-10-16(20)21/h2-8,23H,9-10H2,1H3,(H,19,22)(H,20,21)/q-1 | Definition date: | 2020-01-07 | Last modified: | 2021-01-22 | Release date: | 2021-01-27 | Identifier: | 2-[5-fluoranyl-2-[[3-[methyl(oxidanyl)sulfanuidyl]phenyl]methylcarbamoyl]phenoxy]ethanoic acid |
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![NYE NYE](https://data.pdbj.org/pdbjplus/data/cc/svg/NYE.svg) | NYE | Name: | 3-azanylnaphthalene-2-carboxylic acid | Formula: | C11 H9 N O2 | SMILES: | Nc1cc2ccccc2cc1C(O)=O | InChi: | InChI=1S/C11H9NO2/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6H,12H2,(H,13,14) | Definition date: | 2020-01-09 | Last modified: | 2021-01-22 | Release date: | 2021-01-27 | Identifier: | 3-azanylnaphthalene-2-carboxylic acid |
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![WPM WPM](https://data.pdbj.org/pdbjplus/data/cc/svg/WPM.svg) | WPM | Name: | N~2~-methyl-N~2~-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-1,2-dihydropyridin-4-yl)glycinamide | Formula: | C17 H19 N5 O4 S | SMILES: | C3(N(C)C=CC(NC(CN(C)S(c2cc(cc1cnnc12)C)(=O)=O)=O)=C3)=O | InChi: | InChI=1S/C17H19N5O4S/c1-11-6-12-9-18-20-17(12)14(7-11)27(25,26)22(3)10-15(23)19-13-4-5-21(2)16(24)8-13/h4-9H,10H2,1-3H3,(H,18,20)(H,19,23) | Definition date: | 2020-11-04 | Last modified: | 2021-01-22 | Release date: | 2021-01-27 | Identifier: | N~2~-methyl-N~2~-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-1,2-dihydropyridin-4-yl)glycinamide |
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![S2B S2B](https://data.pdbj.org/pdbjplus/data/cc/svg/S2B.svg) | S2B | Name: | 3-[(~{E})-2-[7,7-bis(oxidanyl)-9-oxidanylidene-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-3-yl]ethenyl]-7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-9-one | Formula: | C16 H12 B2 O8 | SMILES: | O[B-]1(O)OC(=O)c2cc(C=Cc3ccc4c(c3)C(=O)O[B-]4(O)O)ccc12 | InChi: | InChI=1S/C16H12B2O8/c19-15-11-7-9(3-5-13(11)17(21,22)25-15)1-2-10-4-6-14-12(8-10)16(20)26-18(14,23)24/h1-8,21-24H/q-2/b2-1+ | Definition date: | 2019-08-20 | Last modified: | 2021-01-22 | Release date: | 2021-01-27 | Identifier: | 3-[(~{E})-2-[7,7-bis(oxidanyl)-9-oxidanylidene-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-3-yl]ethenyl]-7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-9-one |
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![NZW NZW](https://data.pdbj.org/pdbjplus/data/cc/svg/NZW.svg) | NZW | Name: | ~{N}-[2-[(2~{S})-2-[[(1~{S})-1-(4-methoxyphenyl)ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]quinoline-2-carboxamide | Formula: | C26 H28 N4 O4 | SMILES: | COc1ccc(cc1)[CH](C)NC(=O)[CH]2CCCN2C(=O)CNC(=O)c3ccc4ccccc4n3 | InChi: | InChI=1S/C26H28N4O4/c1-17(18-9-12-20(34-2)13-10-18)28-26(33)23-8-5-15-30(23)24(31)16-27-25(32)22-14-11-19-6-3-4-7-21(19)29-22/h3-4,6-7,9-14,17,23H,5,8,15-16H2,1-2H3,(H,27,32)(H,28,33)/t17-,23-/m0/s1 | Definition date: | 2020-01-13 | Last modified: | 2021-01-22 | Release date: | 2021-01-27 | Identifier: | ~{N}-[2-[(2~{S})-2-[[(1~{S})-1-(4-methoxyphenyl)ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]quinoline-2-carboxamide |
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![W8S W8S](https://data.pdbj.org/pdbjplus/data/cc/svg/W8S.svg) | W8S | Name: | (1,3-dihydro-2H-isoindol-2-yl)(2,4-dihydroxy-6-{[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-5-yl]amino}phenyl)methanone | Formula: | C26 H24 N4 O4 | SMILES: | Cn2c(cc(c1cc(ccc1)OC)n2)Nc3cc(O)cc(c3C(=O)N4Cc5c(C4)cccc5)O | InChi: | InChI=1S/C26H24N4O4/c1-29-24(13-21(28-29)16-8-5-9-20(10-16)34-2)27-22-11-19(31)12-23(32)25(22)26(33)30-14-17-6-3-4-7-18(17)15-30/h3-13,27,31-32H,14-15H2,1-2H3 | Definition date: | 2020-09-30 | Last modified: | 2021-01-22 | Release date: | 2021-01-27 | Identifier: | (1,3-dihydro-2H-isoindol-2-yl)(2,4-dihydroxy-6-{[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-5-yl]amino}phenyl)methanone |
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![W8V W8V](https://data.pdbj.org/pdbjplus/data/cc/svg/W8V.svg) | W8V | Name: | (1,3-dihydro-2H-isoindol-2-yl)(2,4-dihydroxy-6-{[1-methyl-3-(2-methylphenyl)-1H-pyrazol-5-yl]amino}phenyl)methanone | Formula: | C26 H24 N4 O3 | SMILES: | c3(O)cc(c(C(=O)N1Cc2c(C1)cccc2)c(c3)Nc5cc(c4c(cccc4)C)nn5C)O | InChi: | InChI=1S/C26H24N4O3/c1-16-7-3-6-10-20(16)21-13-24(29(2)28-21)27-22-11-19(31)12-23(32)25(22)26(33)30-14-17-8-4-5-9-18(17)15-30/h3-13,27,31-32H,14-15H2,1-2H3 | Definition date: | 2020-09-30 | Last modified: | 2021-01-22 | Release date: | 2021-01-27 | Identifier: | (1,3-dihydro-2H-isoindol-2-yl)(2,4-dihydroxy-6-{[1-methyl-3-(2-methylphenyl)-1H-pyrazol-5-yl]amino}phenyl)methanone |
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![W8Y W8Y](https://data.pdbj.org/pdbjplus/data/cc/svg/W8Y.svg) | W8Y | Name: | (5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl){2,4-dihydroxy-6-[(1-methyl-3-phenyl-1H-pyrazol-5-yl)amino]phenyl}methanone | Formula: | C24 H21 N5 O3 | SMILES: | c1(cc(cc(c1C(=O)N2Cc3c(C2)cccn3)Nc5cc(c4ccccc4)nn5C)O)O | InChi: | InChI=1S/C24H21N5O3/c1-28-22(12-18(27-28)15-6-3-2-4-7-15)26-19-10-17(30)11-21(31)23(19)24(32)29-13-16-8-5-9-25-20(16)14-29/h2-12,26,30-31H,13-14H2,1H3 | Definition date: | 2020-09-30 | Last modified: | 2021-01-22 | Release date: | 2021-01-27 | Identifier: | (5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl){2,4-dihydroxy-6-[(1-methyl-3-phenyl-1H-pyrazol-5-yl)amino]phenyl}methanone |
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![O08 O08](https://data.pdbj.org/pdbjplus/data/cc/svg/O08.svg) | O08 | Name: | ~{N}-[2-[(2~{S},4~{R})-2-[[(1~{S})-1-(2-chloranyl-4-methoxy-phenyl)ethyl]carbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-6-fluoranyl-quinoline-2-carboxamide | Formula: | C26 H26 Cl F N4 O5 | SMILES: | COc1ccc([CH](C)NC(=O)[CH]2C[CH](O)CN2C(=O)CNC(=O)c3ccc4cc(F)ccc4n3)c(Cl)c1 | InChi: | InChI=1S/C26H26ClFN4O5/c1-14(19-6-5-18(37-2)11-20(19)27)30-26(36)23-10-17(33)13-32(23)24(34)12-29-25(35)22-7-3-15-9-16(28)4-8-21(15)31-22/h3-9,11,14,17,23,33H,10,12-13H2,1-2H3,(H,29,35)(H,30,36)/t14-,17+,23-/m0/s1 | Definition date: | 2020-01-13 | Last modified: | 2021-01-22 | Release date: | 2021-01-27 | Identifier: | ~{N}-[2-[(2~{S},4~{R})-2-[[(1~{S})-1-(2-chloranyl-4-methoxy-phenyl)ethyl]carbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-6-fluoranyl-quinoline-2-carboxamide |
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![O0E O0E](https://data.pdbj.org/pdbjplus/data/cc/svg/O0E.svg) | O0E | Name: | (2~{S})-1-[(2~{S})-2-[(3-azanylnaphthalen-2-yl)carbonylamino]-3-(1~{H}-imidazol-4-yl)propanoyl]-~{N}-[(2~{S})-1-azanyl-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxamide | Formula: | C25 H29 N7 O4 | SMILES: | C[CH](NC(=O)[CH]1CCCN1C(=O)[CH](Cc2c[nH]cn2)NC(=O)c3cc4ccccc4cc3N)C(N)=O | InChi: | InChI=1S/C25H29N7O4/c1-14(22(27)33)30-24(35)21-7-4-8-32(21)25(36)20(11-17-12-28-13-29-17)31-23(34)18-9-15-5-2-3-6-16(15)10-19(18)26/h2-3,5-6,9-10,12-14,20-21H,4,7-8,11,26H2,1H3,(H2,27,33)(H,28,29)(H,30,35)(H,31,34)/t14-,20-,21-/m0/s1 | Definition date: | 2020-01-13 | Last modified: | 2021-01-22 | Release date: | 2021-01-27 | Identifier: | (2~{S})-1-[(2~{S})-2-[(3-azanylnaphthalen-2-yl)carbonylamino]-3-(1~{H}-imidazol-4-yl)propanoyl]-~{N}-[(2~{S})-1-azanyl-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxamide |
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![O1E O1E](https://data.pdbj.org/pdbjplus/data/cc/svg/O1E.svg) | O1E | Name: | 5-Ethyl-N-(1H-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine | Formula: | C13 H14 N4 S | SMILES: | CCc1sc(NCc2ccc3[nH]ccc3c2)nn1 | InChi: | InChI=1S/C13H14N4S/c1-2-12-16-17-13(18-12)15-8-9-3-4-11-10(7-9)5-6-14-11/h3-7,14H,2,8H2,1H3,(H,15,17) | Synonyms: | 5-ethyl-~{N}-(1~{H}-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine | Definition date: | 2020-01-20 | Last modified: | 2021-01-22 | Release date: | 2021-01-27 | Identifier: | 5-ethyl-~{N}-(1~{H}-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine |
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![WBP WBP](https://data.pdbj.org/pdbjplus/data/cc/svg/WBP.svg) | WBP | Name: | 3-(2-hydroxyphenyl)benzene-1,2-diol | Formula: | C12 H10 O3 | SMILES: | Oc1cccc(c1O)c2ccccc2O | InChi: | InChI=1S/C12H10O3/c13-10-6-2-1-4-8(10)9-5-3-7-11(14)12(9)15/h1-7,13-15H | Definition date: | 2019-12-25 | Last modified: | 2021-01-22 | Release date: | 2021-01-27 | Identifier: | 3-(2-hydroxyphenyl)benzene-1,2-diol |
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![QCE QCE](https://data.pdbj.org/pdbjplus/data/cc/svg/QCE.svg) | QCE | Name: | N3-(N-(1-amino-4-methyl-1-oxopentan-2-yl)-2-amino-2-oxo-ethyl)-2'-deoxythymidine | Formula: | C13 H20 N3 O8 P | SMILES: | CNC(=O)CN1C(=O)N(C=C(C)C1=O)[CH]2C[CH](O)[CH](COP(O)O)O2 | InChi: | InChI=1S/C13H20N3O8P/c1-7-4-15(13(20)16(12(7)19)5-10(18)14-2)11-3-8(17)9(24-11)6-23-25(21)22/h4,8-9,11,17,21-22H,3,5-6H2,1-2H3,(H,14,18)/t8-,9+,11+/m0/s1 | Synonyms: | [(2~{R},3~{S},5~{R})-5-[5-methyl-3-[2-(methylamino)-2-oxidanylidene-ethyl]-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite | Definition date: | 2020-06-04 | Last modified: | 2021-01-22 | Release date: | 2021-01-27 | Identifier: | [(2~{R},3~{S},5~{R})-5-[5-methyl-3-[2-(methylamino)-2-oxidanylidene-ethyl]-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite |
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![QCK QCK](https://data.pdbj.org/pdbjplus/data/cc/svg/QCK.svg) | QCK | Name: | (4-methyltriazole)-Thymidine-5'-monophosphate | Formula: | C13 H18 N5 O8 P | SMILES: | CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)N(Cc3[nH]nnc3)C1=O | InChi: | InChI=1S/C13H18N5O8P/c1-7-4-17(11-2-9(19)10(26-11)6-25-27(22,23)24)13(21)18(12(7)20)5-8-3-14-16-15-8/h3-4,9-11,19H,2,5-6H2,1H3,(H,14,15,16)(H2,22,23,24)/t9-,10+,11+/m0/s1 | Definition date: | 2020-06-05 | Last modified: | 2021-01-22 | Release date: | 2021-01-27 | Identifier: | [(2~{R},3~{S},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)-3-(1~{H}-1,2,3-triazol-5-ylmethyl)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
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![QJW QJW](https://data.pdbj.org/pdbjplus/data/cc/svg/QJW.svg) | QJW | Name: | (2~{S},3~{S})-2-azanyl-3-[(2-nitrophenyl)methoxy]butanedioic acid | Formula: | C11 H12 N2 O7 | SMILES: | N[CH]([CH](OCc1ccccc1[N](=O)=O)C(O)=O)C(O)=O | InChi: | InChI=1S/C11H12N2O7/c12-8(10(14)15)9(11(16)17)20-5-6-3-1-2-4-7(6)13(18)19/h1-4,8-9H,5,12H2,(H,14,15)(H,16,17)/t8-,9-/m0/s1 | Definition date: | 2020-06-18 | Last modified: | 2021-01-22 | Release date: | 2021-01-27 | Identifier: | (2~{S},3~{S})-2-azanyl-3-[(2-nitrophenyl)methoxy]butanedioic acid |
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![A9L A9L](https://data.pdbj.org/pdbjplus/data/cc/svg/A9L.svg) | A9L | Name: | N-{2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}acetamide | Formula: | C22 H24 N2 O7 S | SMILES: | c1(cccc3c1C(N(C(CS(C)(=O)=O)c2cc(c(cc2)OC)OCC)C3=O)=O)NC(C)=O | InChi: | InChI=1S/C22H24N2O7S/c1-5-31-19-11-14(9-10-18(19)30-3)17(12-32(4,28)29)24-21(26)15-7-6-8-16(23-13(2)25)20(15)22(24)27/h6-11,17H,5,12H2,1-4H3,(H,23,25)/t17-/m1/s1 | Definition date: | 2018-10-25 | Last modified: | 2021-01-22 | Release date: | 2021-01-27 | Identifier: | N-{2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}acetamide |
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![G03 G03](https://data.pdbj.org/pdbjplus/data/cc/svg/G03.svg) | G03 | Name: | methyl (2S)-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-4-methylsulfanyl-butanoate | Formula: | C14 H23 N2 O7 P S | SMILES: | COC(=O)[CH](CCSC)NCc1c(O)c(C)ncc1CO[P](O)(O)=O | InChi: | InChI=1S/C14H23N2O7PS/c1-9-13(17)11(10(6-15-9)8-23-24(19,20)21)7-16-12(4-5-25-3)14(18)22-2/h6,12,16-17H,4-5,7-8H2,1-3H3,(H2,19,20,21)/t12-/m0/s1 | Definition date: | 2020-07-14 | Last modified: | 2021-01-22 | Release date: | 2021-01-27 | Identifier: | methyl (2~{S})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-4-methylsulfanyl-butanoate |
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![G06 G06](https://data.pdbj.org/pdbjplus/data/cc/svg/G06.svg) | G06 | Name: | methyl (2S)-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-4-methylsulfanyl-butanoate | Formula: | C14 H21 N2 O7 P S | SMILES: | COC(=O)[CH](CCSC)N=Cc1c(O)c(C)ncc1CO[P](O)(O)=O | InChi: | InChI=1S/C14H21N2O7PS/c1-9-13(17)11(10(6-15-9)8-23-24(19,20)21)7-16-12(4-5-25-3)14(18)22-2/h6-7,12,17H,4-5,8H2,1-3H3,(H2,19,20,21)/b16-7+/t12-/m0/s1 | Definition date: | 2020-07-14 | Last modified: | 2021-01-22 | Release date: | 2021-01-27 | Identifier: | methyl (2~{S})-2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-4-methylsulfanyl-butanoate |
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![G0C G0C](https://data.pdbj.org/pdbjplus/data/cc/svg/G0C.svg) | G0C | Name: | [6-methyl-4-[(E)-3-methylsulfanylpropyliminomethyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate | Formula: | C12 H19 N2 O5 P S | SMILES: | CSCCCN=Cc1c(O)c(C)ncc1CO[P](O)(O)=O | InChi: | InChI=1S/C12H19N2O5PS/c1-9-12(15)11(7-13-4-3-5-21-2)10(6-14-9)8-19-20(16,17)18/h6-7,15H,3-5,8H2,1-2H3,(H2,16,17,18)/b13-7+ | Definition date: | 2020-07-14 | Last modified: | 2021-01-22 | Release date: | 2021-01-27 | Identifier: | [6-methyl-4-[(~{E})-3-methylsulfanylpropyliminomethyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate |
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![G0F G0F](https://data.pdbj.org/pdbjplus/data/cc/svg/G0F.svg) | G0F | Name: | [6-methyl-4-[(3-methylsulfanylpropylamino)methyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate | Formula: | C12 H21 N2 O5 P S | SMILES: | CSCCCNCc1c(O)c(C)ncc1CO[P](O)(O)=O | InChi: | InChI=1S/C12H21N2O5PS/c1-9-12(15)11(7-13-4-3-5-21-2)10(6-14-9)8-19-20(16,17)18/h6,13,15H,3-5,7-8H2,1-2H3,(H2,16,17,18) | Definition date: | 2020-07-14 | Last modified: | 2021-01-22 | Release date: | 2021-01-27 | Identifier: | [6-methyl-4-[(3-methylsulfanylpropylamino)methyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate |
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![EN9 EN9](https://data.pdbj.org/pdbjplus/data/cc/svg/EN9.svg) | EN9 | Name: | (2R)-2-[(4-chlorophenyl)sulfonyl-[[2-fluoranyl-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-tris(fluoranyl)pentanamide | Formula: | C20 H17 Cl F4 N4 O4 S | SMILES: | NC(=O)[CH](CCC(F)(F)F)N(Cc1ccc(cc1F)c2nocn2)[S](=O)(=O)c3ccc(Cl)cc3 | InChi: | InChI=1S/C20H17ClF4N4O4S/c21-14-3-5-15(6-4-14)34(31,32)29(17(18(26)30)7-8-20(23,24)25)10-13-2-1-12(9-16(13)22)19-27-11-33-28-19/h1-6,9,11,17H,7-8,10H2,(H2,26,30)/t17-/m1/s1 | Definition date: | 2020-01-16 | Last modified: | 2021-01-22 | Release date: | 2021-01-27 | Identifier: | (2~{R})-2-[(4-chlorophenyl)sulfonyl-[[2-fluoranyl-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-tris(fluoranyl)pentanamide |
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![GOC GOC](https://data.pdbj.org/pdbjplus/data/cc/svg/GOC.svg) | GOC | Name: | N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(phenylcarbonyl)benzamide | Formula: | C27 H23 N3 O2 S | SMILES: | Cc1ccc(n2nc3CSCc3c2NC(=O)c4ccc(cc4)C(=O)c5ccccc5)c(C)c1 | InChi: | InChI=1S/C27H23N3O2S/c1-17-8-13-24(18(2)14-17)30-26(22-15-33-16-23(22)29-30)28-27(32)21-11-9-20(10-12-21)25(31)19-6-4-3-5-7-19/h3-14H,15-16H2,1-2H3,(H,28,32) | Definition date: | 2020-09-15 | Last modified: | 2021-01-22 | Release date: | 2021-01-27 | Identifier: | ~{N}-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(phenylcarbonyl)benzamide |
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![GOF GOF](https://data.pdbj.org/pdbjplus/data/cc/svg/GOF.svg) | GOF | Name: | N-[2-(4-methoxyphenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(phenylcarbonyl)benzamide | Formula: | C26 H21 N3 O5 S | SMILES: | COc1ccc(cc1)n2nc3C[S](=O)(=O)Cc3c2NC(=O)c4ccc(cc4)C(=O)c5ccccc5 | InChi: | InChI=1S/C26H21N3O5S/c1-34-21-13-11-20(12-14-21)29-25(22-15-35(32,33)16-23(22)28-29)27-26(31)19-9-7-18(8-10-19)24(30)17-5-3-2-4-6-17/h2-14H,15-16H2,1H3,(H,27,31) | Definition date: | 2020-09-15 | Last modified: | 2021-01-22 | Release date: | 2021-01-27 | Identifier: | ~{N}-[2-(4-methoxyphenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(phenylcarbonyl)benzamide |
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![GWO GWO](https://data.pdbj.org/pdbjplus/data/cc/svg/GWO.svg) | GWO | Name: | (2R,4R,5S)-5-azanyl-4-oxidanyl-6-phenyl-2-(phenylmethyl)hexanoic acid | Formula: | C19 H23 N O3 | SMILES: | N[CH](Cc1ccccc1)[CH](O)C[CH](Cc2ccccc2)C(O)=O | InChi: | InChI=1S/C19H23NO3/c20-17(12-15-9-5-2-6-10-15)18(21)13-16(19(22)23)11-14-7-3-1-4-8-14/h1-10,16-18,21H,11-13,20H2,(H,22,23)/t16-,17+,18-/m1/s1 | Definition date: | 2020-09-29 | Last modified: | 2021-01-22 | Release date: | 2021-01-27 | Identifier: | (2~{R},4~{R},5~{S})-5-azanyl-4-oxidanyl-6-phenyl-2-(phenylmethyl)hexanoic acid |
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![GY0 GY0](https://data.pdbj.org/pdbjplus/data/cc/svg/GY0.svg) | GY0 | Name: | methyl 3-[(E,3R,9R)-3,9-bis(oxidanyl)dec-4-enoyl]sulfanylpropanoate | Formula: | C14 H24 O5 S | SMILES: | COC(=O)CCSC(=O)C[CH](O)C=CCCC[CH](C)O | InChi: | InChI=1S/C14H24O5S/c1-11(15)6-4-3-5-7-12(16)10-14(18)20-9-8-13(17)19-2/h5,7,11-12,15-16H,3-4,6,8-10H2,1-2H3/b7-5+/t11-,12+/m1/s1 | Definition date: | 2020-10-08 | Last modified: | 2021-01-22 | Release date: | 2021-01-27 | Identifier: | methyl 3-[(~{E},3~{R},9~{R})-3,9-bis(oxidanyl)dec-4-enoyl]sulfanylpropanoate |
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