![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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![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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![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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![PJ5 PJ5](https://data.pdbj.org/pdbjplus/data/cc/svg/PJ5.svg) | PJ5 | Name: | (1~{S},2~{S},3~{S},4~{S})-4-(hydroxymethyl)cyclopentane-1,2,3-triol | Formula: | C6 H12 O4 | SMILES: | OC[CH]1C[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C6H12O4/c7-2-3-1-4(8)6(10)5(3)9/h3-10H,1-2H2/t3-,4-,5-,6-/m0/s1 | Definition date: | 2020-04-20 | Last modified: | 2021-01-22 | Release date: | 2021-01-27 | Identifier: | (1~{S},2~{S},3~{S},4~{S})-4-(hydroxymethyl)cyclopentane-1,2,3-triol |
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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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![FE0 FE0](https://data.pdbj.org/pdbjplus/data/cc/svg/FE0.svg) | FE0 | Name: | (1S,2S,3R,4R)-3-(hydroxymethyl)cyclopentane-1,2,4-triol | Formula: | C6 H12 O4 | SMILES: | OC[CH]1[CH](O)C[CH](O)[CH]1O | InChi: | InChI=1S/C6H12O4/c7-2-3-4(8)1-5(9)6(3)10/h3-10H,1-2H2/t3-,4-,5+,6+/m1/s1 | Definition date: | 2020-05-03 | Last modified: | 2021-01-22 | Release date: | 2021-01-27 | Identifier: | (1~{S},2~{S},3~{R},4~{R})-3-(hydroxymethyl)cyclopentane-1,2,4-triol |
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![EHX EHX](https://data.pdbj.org/pdbjplus/data/cc/svg/EHX.svg) | EHX | Name: | (9aR)-9a-(dioxidanyl)-1,9-dihydrocarbazole | Formula: | C12 H11 N O2 | SMILES: | OO[C]12CC=CC=C1c3ccccc3N2 | InChi: | InChI=1S/C12H11NO2/c14-15-12-8-4-3-6-10(12)9-5-1-2-7-11(9)13-12/h1-7,13-14H,8H2/t12-/m1/s1 | Definition date: | 2019-12-25 | Last modified: | 2021-01-22 | Release date: | 2021-01-27 | Identifier: | (9~{a}~{R})-9~{a}-(dioxidanyl)-1,9-dihydrocarbazole |
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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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![H0C H0C](https://data.pdbj.org/pdbjplus/data/cc/svg/H0C.svg) | H0C | Name: | [(2~{R},3~{R},4~{R},5~{S},6~{S})-2-[[(1~{R},3~{S},5~{S},8~{R},9~{S},10~{R},11~{R},13~{R},14~{S},17~{R})-10-(hydroxymethyl)-13-methyl-1,5,11,14-tetrakis(oxidanyl)-17-(5-oxidanylidene-2~{H}-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl]oxy]-6-methyl-3,5-bis(oxidanyl)oxan-4-yl] anthracene-9-carboxylate | Formula: | C44 H52 O13 | SMILES: | C[CH]1O[CH](O[CH]2C[CH](O)[C]3(CO)[CH]4[CH](O)C[C]5(C)[CH](CC[C]5(O)[CH]4CC[C]3(O)C2)C6=CC(=O)OC6)[CH](O)[CH](OC(=O)c7c8ccccc8cc9ccccc79)[CH]1O | InChi: | InChI=1S/C44H52O13/c1-22-36(49)38(57-39(51)34-27-9-5-3-7-23(27)15-24-8-4-6-10-28(24)34)37(50)40(55-22)56-26-17-32(47)43(21-45)35-30(11-13-42(43,52)18-26)44(53)14-12-29(25-16-33(48)54-20-25)41(44,2)19-31(35)46/h3-10,15-16,22,26,29-32,35-38,40,45-47,49-50,52-53H,11-14,17-21H2,1-2H3/t22-,26-,29+,30+,31+,32+,35+,36-,37+,38+,40-,41+,42-,43+,44-/m0/s1 | Definition date: | 2020-10-19 | Last modified: | 2021-01-22 | Release date: | 2021-01-27 | Identifier: | [(2~{R},3~{R},4~{R},5~{S},6~{S})-2-[[(1~{R},3~{S},5~{S},8~{R},9~{S},10~{R},11~{R},13~{R},14~{S},17~{R})-10-(hydroxymethyl)-13-methyl-1,5,11,14-tetrakis(oxidanyl)-17-(5-oxidanylidene-2~{H}-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl]oxy]-6-methyl-3,5-bis(oxidanyl)oxan-4-yl] anthracene-9-carboxylate |
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![H46 H46](https://data.pdbj.org/pdbjplus/data/cc/svg/H46.svg) | H46 | Name: | ~{N}-[4-[4-[(1~{S})-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl]piperazin-1-yl]-3-fluoranyl-phenyl]-2-pyridin-3-yl-benzamide | Formula: | C34 H36 F N5 O2 | SMILES: | CCN(CC)C(=O)[CH](N1CCN(CC1)c2ccc(NC(=O)c3ccccc3c4cccnc4)cc2F)c5ccccc5 | InChi: | InChI=1S/C34H36FN5O2/c1-3-38(4-2)34(42)32(25-11-6-5-7-12-25)40-21-19-39(20-22-40)31-17-16-27(23-30(31)35)37-33(41)29-15-9-8-14-28(29)26-13-10-18-36-24-26/h5-18,23-24,32H,3-4,19-22H2,1-2H3,(H,37,41)/t32-/m0/s1 | Definition date: | 2020-11-04 | Last modified: | 2021-01-22 | Release date: | 2021-01-27 | Identifier: | ~{N}-[4-[4-[(1~{S})-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl]piperazin-1-yl]-3-fluoranyl-phenyl]-2-pyridin-3-yl-benzamide |
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![9G0 9G0](https://data.pdbj.org/pdbjplus/data/cc/svg/9G0.svg) | 9G0 | Name: | 2'-amino[1,1'-biphenyl]-2,3-diol | Formula: | C12 H11 N O2 | SMILES: | Nc1c(cccc1)c2cccc(O)c2O | InChi: | InChI=1S/C12H11NO2/c13-10-6-2-1-4-8(10)9-5-3-7-11(14)12(9)15/h1-7,14-15H,13H2 | Definition date: | 2018-04-11 | Last modified: | 2021-01-22 | Release date: | 2021-01-27 | Identifier: | 2'-amino[1,1'-biphenyl]-2,3-diol |
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![E8X E8X](https://data.pdbj.org/pdbjplus/data/cc/svg/E8X.svg) | E8X | Name: | (2~{S},3~{S},4~{R},5~{R})-2-hexyl-4,5-bis(oxidanyl)piperidine-3-carboxylic acid | Formula: | C12 H23 N O4 | SMILES: | CCCCCC[CH]1NC[CH](O)[CH](O)[CH]1C(O)=O | InChi: | InChI=1S/C12H23NO4/c1-2-3-4-5-6-8-10(12(16)17)11(15)9(14)7-13-8/h8-11,13-15H,2-7H2,1H3,(H,16,17)/t8-,9+,10-,11-/m0/s1 | Definition date: | 2019-11-21 | Last modified: | 2021-01-22 | Release date: | 2021-01-27 | Identifier: | (2~{S},3~{S},4~{R},5~{R})-2-hexyl-4,5-bis(oxidanyl)piperidine-3-carboxylic acid |
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![E9O E9O](https://data.pdbj.org/pdbjplus/data/cc/svg/E9O.svg) | E9O | Name: | (2~{S},3~{S},4~{R},5~{R})-2-nonyl-4,5-bis(oxidanyl)piperidine-3-carboxylic acid | Formula: | C15 H29 N O4 | SMILES: | CCCCCCCCC[CH]1NC[CH](O)[CH](O)[CH]1C(O)=O | InChi: | InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-9-11-13(15(19)20)14(18)12(17)10-16-11/h11-14,16-18H,2-10H2,1H3,(H,19,20)/t11-,12+,13-,14-/m0/s1 | Definition date: | 2019-11-25 | Last modified: | 2021-01-22 | Release date: | 2021-01-27 | Identifier: | (2~{S},3~{S},4~{R},5~{R})-2-nonyl-4,5-bis(oxidanyl)piperidine-3-carboxylic acid |
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