![VOH VOH](https://data.pdbj.org/pdbjplus/data/cc/svg/VOH.svg) | VOH | Name: | Veratryl alcohol | Formula: | C9 H12 O3 | SMILES: | COc1ccc(CO)cc1OC | InChi: | InChI=1S/C9H12O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5,10H,6H2,1-2H3 | Definition date: | 2017-09-27 | Last modified: | 2018-12-07 | Release date: | 2018-12-12 | Identifier: | (3,4-dimethoxyphenyl)methanol |
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![E9G E9G](https://data.pdbj.org/pdbjplus/data/cc/svg/E9G.svg) | E9G | Name: | {hydroxy[(1S)-1-phenylethyl]amino}(oxo)acetic acid | Formula: | C10 H11 N O4 | SMILES: | c1cccc(C(C)N(C(=O)C(O)=O)O)c1 | InChi: | InChI=1S/C10H11NO4/c1-7(8-5-3-2-4-6-8)11(15)9(12)10(13)14/h2-7,15H,1H3,(H,13,14)/t7-/m0/s1 | Definition date: | 2017-12-13 | Last modified: | 2018-12-07 | Release date: | 2018-12-12 | Identifier: | {hydroxy[(1S)-1-phenylethyl]amino}(oxo)acetic acid |
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![E9J E9J](https://data.pdbj.org/pdbjplus/data/cc/svg/E9J.svg) | E9J | Name: | oxo{[(1S)-1-phenylethyl]amino}acetic acid | Formula: | C10 H11 N O3 | SMILES: | C(C(NC(C)c1ccccc1)=O)(O)=O | InChi: | InChI=1S/C10H11NO3/c1-7(11-9(12)10(13)14)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)(H,13,14)/t7-/m0/s1 | Definition date: | 2017-12-13 | Last modified: | 2018-12-07 | Release date: | 2018-12-12 | Identifier: | oxo{[(1S)-1-phenylethyl]amino}acetic acid |
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![EEY EEY](https://data.pdbj.org/pdbjplus/data/cc/svg/EEY.svg) | EEY | Name: | 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide | Formula: | C12 H8 Cl N3 O3 | SMILES: | C(Nc1ccncc1)(c2c(ccc(c2)[N+](=O)[O-])Cl)=O | InChi: | InChI=1S/C12H8ClN3O3/c13-11-2-1-9(16(18)19)7-10(11)12(17)15-8-3-5-14-6-4-8/h1-7H,(H,14,15,17) | Definition date: | 2018-01-08 | Last modified: | 2018-12-07 | Release date: | 2018-12-12 | Identifier: | 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide |
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![PCZ PCZ](https://data.pdbj.org/pdbjplus/data/cc/svg/PCZ.svg) | PCZ | Name: | (2R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid | Formula: | C14 H15 N5 O5 S2 | SMILES: | O=CC(C1N=C(C(=C)CS1)C(=O)O)NC(=O)C(=N/OC)c2csc(n2)N | InChi: | InChI=1S/C14H15N5O5S2/c1-6-4-25-12(18-9(6)13(22)23)7(3-20)16-11(21)10(19-24-2)8-5-26-14(15)17-8/h3,5,7,12H,1,4H2,2H3,(H2,15,17)(H,16,21)(H,22,23)/b19-10-/t7-,12-/m1/s1 | Synonyms: | CEFOTAXIME PRODUCT, OPEN FORM | Definition date: | 2004-12-16 | Last modified: | 2018-12-05 | Identifier: | (2R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
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![DIH DIH](https://data.pdbj.org/pdbjplus/data/cc/svg/DIH.svg) | DIH | Name: | 7-[[(3R,4R)-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one | Formula: | C12 H17 N4 O3 | SMILES: | OC[CH]1C[NH+](C[CH]1O)Cc2c[nH]c3C(=O)NC=Nc23 | InChi: | InChI=1S/C12H16N4O3/c17-5-8-3-16(4-9(8)18)2-7-1-13-11-10(7)14-6-15-12(11)19/h1,6,8-9,13,17-18H,2-5H2,(H,14,15,19)/p+1/t8-,9+/m1/s1 | Definition date: | 2002-11-05 | Last modified: | 2018-12-05 | Identifier: | 7-[[(3~{R},4~{R})-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one |
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![HKB HKB](https://data.pdbj.org/pdbjplus/data/cc/svg/HKB.svg) | HKB | Name: | ~{N}-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]-4-(dimethylamino)benzenesulfonamide | Formula: | C22 H18 N2 O6 S | SMILES: | CN(C)c1ccc(cc1)[S](=O)(=O)Nc2cc3C(=O)c4ccccc4C(=O)c3c(O)c2O | InChi: | InChI=1S/C22H18N2O6S/c1-24(2)12-7-9-13(10-8-12)31(29,30)23-17-11-16-18(22(28)21(17)27)20(26)15-6-4-3-5-14(15)19(16)25/h3-11,23,27-28H,1-2H3 | Definition date: | 2017-08-15 | Last modified: | 2018-11-30 | Release date: | 2018-12-05 | Identifier: | ~{N}-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]-4-(dimethylamino)benzenesulfonamide |
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![G1N G1N](https://data.pdbj.org/pdbjplus/data/cc/svg/G1N.svg) | G1N | Name: | 5-(pyridin-3-ylsulfonylamino)-1,3-thiazole-4-carboxylic acid | Formula: | C9 H7 N3 O4 S2 | SMILES: | OC(=O)c1ncsc1N[S](=O)(=O)c2cccnc2 | InChi: | InChI=1S/C9H7N3O4S2/c13-9(14)7-8(17-5-11-7)12-18(15,16)6-2-1-3-10-4-6/h1-5,12H,(H,13,14) | Definition date: | 2018-08-21 | Last modified: | 2018-11-30 | Release date: | 2018-12-05 | Identifier: | 5-(pyridin-3-ylsulfonylamino)-1,3-thiazole-4-carboxylic acid |
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![G8W G8W](https://data.pdbj.org/pdbjplus/data/cc/svg/G8W.svg) | G8W | Name: | (2~{S})-2-[[(2~{S})-6-[(6-fluoranylpyridin-3-yl)amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid | Formula: | C17 H21 F N4 O8 | SMILES: | OC(=O)CC[CH](NC(=O)N[CH](CCCC(=O)Nc1ccc(F)nc1)C(O)=O)C(O)=O | InChi: | InChI=1S/C17H21FN4O8/c18-12-6-4-9(8-19-12)20-13(23)3-1-2-10(15(26)27)21-17(30)22-11(16(28)29)5-7-14(24)25/h4,6,8,10-11H,1-3,5,7H2,(H,20,23)(H,24,25)(H,26,27)(H,28,29)(H2,21,22,30)/t10-,11-/m0/s1 | Definition date: | 2018-09-07 | Last modified: | 2018-11-30 | Release date: | 2018-12-05 | Identifier: | (2~{S})-2-[[(2~{S})-6-[(6-fluoranylpyridin-3-yl)amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid |
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![GBZ GBZ](https://data.pdbj.org/pdbjplus/data/cc/svg/GBZ.svg) | GBZ | Name: | (2~{S})-2-[[(2~{S})-6-[2-[(6-fluoranylpyridin-3-yl)carbonylamino]ethyl-phenyl-amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid | Formula: | C26 H30 F N5 O9 | SMILES: | OC(=O)CC[CH](NC(=O)N[CH](CCCC(=O)N(CCNC(=O)c1ccc(F)nc1)c2ccccc2)C(O)=O)C(O)=O | InChi: | InChI=1S/C26H30FN5O9/c27-20-11-9-16(15-29-20)23(36)28-13-14-32(17-5-2-1-3-6-17)21(33)8-4-7-18(24(37)38)30-26(41)31-19(25(39)40)10-12-22(34)35/h1-3,5-6,9,11,15,18-19H,4,7-8,10,12-14H2,(H,28,36)(H,34,35)(H,37,38)(H,39,40)(H2,30,31,41)/t18-,19-/m0/s1 | Definition date: | 2018-09-12 | Last modified: | 2018-11-30 | Release date: | 2018-12-05 | Identifier: | (2~{S})-2-[[(2~{S})-6-[2-[(6-fluoranylpyridin-3-yl)carbonylamino]ethyl-phenyl-amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid |
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![KMG KMG](https://data.pdbj.org/pdbjplus/data/cc/svg/KMG.svg) | KMG | Name: | N-(3-methyl-2H-indazol-5-yl)butane-1-sulfonamide | Formula: | C12 H17 N3 O2 S | SMILES: | Cc2c1c(ccc(c1)NS(CCCC)(=O)=O)nn2 | InChi: | InChI=1S/C12H17N3O2S/c1-3-4-7-18(16,17)15-10-5-6-12-11(8-10)9(2)13-14-12/h5-6,8,15H,3-4,7H2,1-2H3,(H,13,14) | Definition date: | 2017-06-07 | Last modified: | 2018-11-30 | Release date: | 2018-12-05 | Identifier: | N-(3-methyl-2H-indazol-5-yl)butane-1-sulfonamide |
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![FVW FVW](https://data.pdbj.org/pdbjplus/data/cc/svg/FVW.svg) | FVW | Name: | (2~{S})-2-[[(2~{S})-6-[(6-fluoranylpyridin-3-yl)-methyl-amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid | Formula: | C18 H23 F N4 O8 | SMILES: | CN(C(=O)CCC[CH](NC(=O)N[CH](CCC(O)=O)C(O)=O)C(O)=O)c1ccc(F)nc1 | InChi: | InChI=1S/C18H23FN4O8/c1-23(10-5-7-13(19)20-9-10)14(24)4-2-3-11(16(27)28)21-18(31)22-12(17(29)30)6-8-15(25)26/h5,7,9,11-12H,2-4,6,8H2,1H3,(H,25,26)(H,27,28)(H,29,30)(H2,21,22,31)/t11-,12-/m0/s1 | Definition date: | 2018-08-01 | Last modified: | 2018-11-30 | Release date: | 2018-12-05 | Identifier: | (2~{S})-2-[[(2~{S})-6-[(6-fluoranylpyridin-3-yl)-methyl-amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid |
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![FVZ FVZ](https://data.pdbj.org/pdbjplus/data/cc/svg/FVZ.svg) | FVZ | Name: | (2~{S})-2-[[(2~{S})-6-[(4-fluorophenyl)amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid | Formula: | C18 H22 F N3 O8 | SMILES: | OC(=O)CC[CH](NC(=O)N[CH](CCCC(=O)Nc1ccc(F)cc1)C(O)=O)C(O)=O | InChi: | InChI=1S/C18H22FN3O8/c19-10-4-6-11(7-5-10)20-14(23)3-1-2-12(16(26)27)21-18(30)22-13(17(28)29)8-9-15(24)25/h4-7,12-13H,1-3,8-9H2,(H,20,23)(H,24,25)(H,26,27)(H,28,29)(H2,21,22,30)/t12-,13-/m0/s1 | Definition date: | 2018-08-01 | Last modified: | 2018-11-30 | Release date: | 2018-12-05 | Identifier: | (2~{S})-2-[[(2~{S})-6-[(4-fluorophenyl)amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid |
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![JSJ JSJ](https://data.pdbj.org/pdbjplus/data/cc/svg/JSJ.svg) | JSJ | Name: | 5'-O-[(S)-hydroxy{[(S)-hydroxy{[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl]disulfanyl}phosphoryl]oxy}phosphoryl]adenosine | Formula: | C19 H30 N6 O10 P2 S2 | SMILES: | C1(OC(C(C1O)O)COP(=O)(O)OP(O)(=O)SSCC2=CC(C)(N(C2(C)C)O)C)n3c4c(nc3)c(ncn4)N | InChi: | InChI=1S/C19H30N6O10P2S2/c1-18(2)5-10(19(3,4)25(18)28)7-38-39-37(31,32)35-36(29,30)33-6-11-13(26)14(27)17(34-11)24-9-23-12-15(20)21-8-22-16(12)24/h5,8-9,11,13-14,17,26-28H,6-7H2,1-4H3,(H,29,30)(H,31,32)(H2,20,21,22)/t11-,13-,14-,17-/m1/s1 | Definition date: | 2018-09-20 | Last modified: | 2018-11-30 | Release date: | 2018-12-05 | Identifier: | 5'-O-[(S)-hydroxy{[(S)-hydroxy{[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl]disulfanyl}phosphoryl]oxy}phosphoryl]adenosine |
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![H62 H62](https://data.pdbj.org/pdbjplus/data/cc/svg/H62.svg) | H62 | Name: | (1~{R},2~{R},3~{R},4~{S},6~{S})-6-azanyl-2,3,4-tris(oxidanyl)cyclohexane-1-carboxylic acid | Formula: | C7 H13 N O5 | SMILES: | N[CH]1C[CH](O)[CH](O)[CH](O)[CH]1C(O)=O | InChi: | InChI=1S/C7H13NO5/c8-2-1-3(9)5(10)6(11)4(2)7(12)13/h2-6,9-11H,1,8H2,(H,12,13)/t2-,3-,4+,5+,6+/m0/s1 | Definition date: | 2018-11-16 | Last modified: | 2018-11-30 | Release date: | 2018-12-05 | Identifier: | (1~{R},2~{R},3~{R},4~{S},6~{S})-6-azanyl-2,3,4-tris(oxidanyl)cyclohexane-1-carboxylic acid |
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![H6B H6B](https://data.pdbj.org/pdbjplus/data/cc/svg/H6B.svg) | H6B | Name: | (1~{R},2~{R},3~{R},4~{S},5~{S},6~{R})-7-methyl-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-2-carboxylic acid | Formula: | C8 H13 N O5 | SMILES: | CN1[CH]2[CH](O)[CH](O)[CH](O)[CH]([CH]12)C(O)=O | InChi: | InChI=1S/C8H13NO5/c1-9-3-2(8(13)14)5(10)7(12)6(11)4(3)9/h2-7,10-12H,1H3,(H,13,14)/t2-,3-,4-,5-,6+,7+,9+/m1/s1 | Definition date: | 2018-11-16 | Last modified: | 2018-11-30 | Release date: | 2018-12-05 | Identifier: | (1~{R},2~{R},3~{R},4~{S},5~{S},6~{R})-7-methyl-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-2-carboxylic acid |
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![H7Q H7Q](https://data.pdbj.org/pdbjplus/data/cc/svg/H7Q.svg) | H7Q | Name: | 5'-(cyclopropylmethoxy)-6'-[3-(1,3-dihydroisoindol-2-yl)propoxy]spiro[cyclopentane-1,3'-indole]-2'-amine | Formula: | C27 H33 N3 O2 | SMILES: | NC1=Nc2cc(OCCCN3Cc4ccccc4C3)c(OCC5CC5)cc2C16CCCC6 | InChi: | InChI=1S/C27H33N3O2/c28-26-27(10-3-4-11-27)22-14-24(32-18-19-8-9-19)25(15-23(22)29-26)31-13-5-12-30-16-20-6-1-2-7-21(20)17-30/h1-2,6-7,14-15,19H,3-5,8-13,16-18H2,(H2,28,29) | Definition date: | 2018-11-20 | Last modified: | 2018-11-30 | Release date: | 2018-12-05 | Identifier: | 5'-(cyclopropylmethoxy)-6'-[3-(1,3-dihydroisoindol-2-yl)propoxy]spiro[cyclopentane-1,3'-indole]-2'-amine |
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![H7T H7T](https://data.pdbj.org/pdbjplus/data/cc/svg/H7T.svg) | H7T | Name: | 2-[4-[2-[[2-[3-[2-azanyl-5-(cyclopropylmethoxy)-3,3-dimethyl-indol-6-yl]oxypropyl]-1,3-dihydroisoindol-5-yl]oxy]ethyl]-1,2,3-triazol-1-yl]-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone | Formula: | C42 H58 N8 O4 | SMILES: | CC1(C)C(=Nc2cc(OCCCN3Cc4ccc(OCCc5cn(CC(=O)N6CCC(CCN7CCCC7)CC6)nn5)cc4C3)c(OCC8CC8)cc12)N | InChi: | InChI=1S/C42H58N8O4/c1-42(2)36-23-38(54-29-31-6-7-31)39(24-37(36)44-41(42)43)53-20-5-16-48-25-32-8-9-35(22-33(32)26-48)52-21-13-34-27-50(46-45-34)28-40(51)49-18-11-30(12-19-49)10-17-47-14-3-4-15-47/h8-9,22-24,27,30-31H,3-7,10-21,25-26,28-29H2,1-2H3,(H2,43,44) | Definition date: | 2018-11-20 | Last modified: | 2018-11-30 | Release date: | 2018-12-05 | Identifier: | 2-[4-[2-[[2-[3-[2-azanyl-5-(cyclopropylmethoxy)-3,3-dimethyl-indol-6-yl]oxypropyl]-1,3-dihydroisoindol-5-yl]oxy]ethyl]-1,2,3-triazol-1-yl]-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone |
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![7UR 7UR](https://data.pdbj.org/pdbjplus/data/cc/svg/7UR.svg) | 7UR | Name: | 4-[4-cyano-2-[[(2R)-2-(4-fluoranylnaphthalen-1-yl)propanoyl]amino]phenyl]butanoic acid | Formula: | C24 H21 F N2 O3 | SMILES: | C[CH](C(=O)Nc1cc(ccc1CCCC(O)=O)C#N)c2ccc(F)c3ccccc23 | InChi: | InChI=1S/C24H21FN2O3/c1-15(18-11-12-21(25)20-7-3-2-6-19(18)20)24(30)27-22-13-16(14-26)9-10-17(22)5-4-8-23(28)29/h2-3,6-7,9-13,15H,4-5,8H2,1H3,(H,27,30)(H,28,29)/t15-/m1/s1 | Definition date: | 2016-12-27 | Last modified: | 2018-11-30 | Release date: | 2018-12-05 | Identifier: | 4-[4-cyano-2-[[(2~{R})-2-(4-fluoranylnaphthalen-1-yl)propanoyl]amino]phenyl]butanoic acid |
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![BVR BVR](https://data.pdbj.org/pdbjplus/data/cc/svg/BVR.svg) | BVR | Name: | [4-[[(2~{R},3~{S})-3-[[(3~{a}~{S},4~{R},6~{a}~{R})-2,3,3~{a},4,5,6~{a}-hexahydrofuro[2,3-b]furan-4-yl]oxycarbonylamino]-2-oxidanyl-4-phenyl-butyl]-(2-methylpropyl)sulfamoyl]phenyl]-oxidanyl-oxidanylidene-boron | Formula: | C27 H36 B N2 O9 S | SMILES: | CC(C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc(cc4)[B](O)=O | InChi: | InChI=1S/C27H36BN2O9S/c1-18(2)15-30(40(35,36)21-10-8-20(9-11-21)28(33)34)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)39-25-17-38-26-22(25)12-13-37-26/h3-11,18,22-26,31,33H,12-17H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1 | Definition date: | 2018-01-26 | Last modified: | 2018-11-30 | Release date: | 2018-12-05 | Identifier: | [4-[[(2~{R},3~{S})-3-[[(3~{a}~{S},4~{R},6~{a}~{R})-2,3,3~{a},4,5,6~{a}-hexahydrofuro[2,3-b]furan-4-yl]oxycarbonylamino]-2-oxidanyl-4-phenyl-butyl]-(2-methylpropyl)sulfamoyl]phenyl]-oxidanyl-oxidanylidene-boron |
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![8VL 8VL](https://data.pdbj.org/pdbjplus/data/cc/svg/8VL.svg) | 8VL | Name: | 4-[2-[[(2R)-2-(4-bromanylnaphthalen-1-yl)propanoyl]amino]-4-cyano-phenyl]butanoic acid | Formula: | C24 H21 Br N2 O3 | SMILES: | C[CH](C(=O)Nc1cc(ccc1CCCC(O)=O)C#N)c2ccc(Br)c3ccccc23 | InChi: | InChI=1S/C24H21BrN2O3/c1-15(18-11-12-21(25)20-7-3-2-6-19(18)20)24(30)27-22-13-16(14-26)9-10-17(22)5-4-8-23(28)29/h2-3,6-7,9-13,15H,4-5,8H2,1H3,(H,27,30)(H,28,29)/t15-/m1/s1 | Definition date: | 2017-10-04 | Last modified: | 2018-11-30 | Release date: | 2018-12-05 | Identifier: | 4-[2-[[(2~{R})-2-(4-bromanylnaphthalen-1-yl)propanoyl]amino]-4-cyano-phenyl]butanoic acid |
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![91L 91L](https://data.pdbj.org/pdbjplus/data/cc/svg/91L.svg) | 91L | Name: | 1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid | Formula: | C15 H9 N O5 | SMILES: | c1(cc(c3c(c1N)C(c2c(cccc2)C3=O)=O)O)C(O)=O | InChi: | InChI=1S/C15H9NO5/c16-12-8(15(20)21)5-9(17)10-11(12)14(19)7-4-2-1-3-6(7)13(10)18/h1-5,17H,16H2,(H,20,21) | Definition date: | 2017-11-30 | Last modified: | 2018-11-30 | Release date: | 2018-12-05 | Identifier: | 1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid |
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![91O 91O](https://data.pdbj.org/pdbjplus/data/cc/svg/91O.svg) | 91O | Name: | 5-chloro-2-methoxy-4[(1Z)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl]aminobenzoic acid | Formula: | C18 H16 Cl N O5 | SMILES: | c1(cc(c(cc1C(O)=O)Cl)N[C@H]=CC(c2ccc(cc2)OC)=O)OC | InChi: | InChI=1S/C18H16ClNO5/c1-24-12-5-3-11(4-6-12)16(21)7-8-20-15-10-17(25-2)13(18(22)23)9-14(15)19/h3-10,20H,1-2H3,(H,22,23)/b8-7- | Definition date: | 2017-11-30 | Last modified: | 2018-11-30 | Release date: | 2018-12-05 | Identifier: | 5-chloro-2-methoxy-4-{[(1Z)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl]amino}benzoic acid |
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![91X 91X](https://data.pdbj.org/pdbjplus/data/cc/svg/91X.svg) | 91X | Name: | 3-(1H-tetrazol-5-yl)-10lambda~6~-thioxanthene-9,10,10-trione | Formula: | C14 H8 N4 O3 S | SMILES: | c12cc(ccc1C(c3c(S2(=O)=O)cccc3)=O)c4nnnn4 | InChi: | InChI=1S/C14H8N4O3S/c19-13-9-3-1-2-4-11(9)22(20,21)12-7-8(5-6-10(12)13)14-15-17-18-16-14/h1-7H,(H,15,16,17,18) | Definition date: | 2017-11-30 | Last modified: | 2018-11-30 | Release date: | 2018-12-05 | Identifier: | 3-(1H-tetrazol-5-yl)-10lambda~6~-thioxanthene-9,10,10-trione |
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![UX4 UX4](https://data.pdbj.org/pdbjplus/data/cc/svg/UX4.svg) | UX4 | Name: | ethyl 4-[(8R)-3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl]carbamoylpiperazine-1-carboxylate | Formula: | C21 H29 N5 O4 S | SMILES: | O=C(OCC)N1CCN(CC1)C(=O)Nc2sc3c(c2C)C(N4C(=N3)CCC(C)CC4)=O | InChi: | InChI=1S/C21H29N5O4S/c1-4-30-21(29)25-11-9-24(10-12-25)20(28)23-17-14(3)16-18(31-17)22-15-6-5-13(2)7-8-26(15)19(16)27/h13H,4-12H2,1-3H3,(H,23,28)/t13-/m1/s1 | Definition date: | 2017-12-07 | Last modified: | 2018-11-30 | Release date: | 2018-12-05 | Identifier: | ethyl 4-{[(8R)-3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl]carbamoyl}piperazine-1-carboxylate |
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