![ZJ9 ZJ9](https://data.pdbj.org/pdbjplus/data/cc/svg/ZJ9.svg) | ZJ9 | Name: | ~{N}-[(1~{R})-2,3-dihydro-1~{H}-inden-1-yl]-5-[4-(dimethylcarbamoyl)-3-oxidanyl-phenyl]-1,2-oxazole-3-carboxamide | Formula: | C22 H21 N3 O4 | SMILES: | CN(C)C(=O)c1ccc(cc1O)c2onc(c2)C(=O)N[CH]3CCc4ccccc34 | InChi: | InChI=1S/C22H21N3O4/c1-25(2)22(28)16-9-7-14(11-19(16)26)20-12-18(24-29-20)21(27)23-17-10-8-13-5-3-4-6-15(13)17/h3-7,9,11-12,17,26H,8,10H2,1-2H3,(H,23,27)/t17-/m1/s1 | Definition date: | 2023-06-26 | Last modified: | 2023-11-17 | Release date: | 2023-11-22 | Identifier: | ~{N}-[(1~{R})-2,3-dihydro-1~{H}-inden-1-yl]-5-[4-(dimethylcarbamoyl)-3-oxidanyl-phenyl]-1,2-oxazole-3-carboxamide |
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![VZF VZF](https://data.pdbj.org/pdbjplus/data/cc/svg/VZF.svg) | VZF | Name: | 2-[bis(2-hydroxyethyl)amino]-6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-7~{H}-purin-8-one | Formula: | C20 H28 N6 O4 | SMILES: | COc1ccc(CNc2nc(nc3N(C(C)C)C(=O)Nc23)N(CCO)CCO)cc1 | InChi: | InChI=1S/C20H28N6O4/c1-13(2)26-18-16(22-20(26)29)17(21-12-14-4-6-15(30-3)7-5-14)23-19(24-18)25(8-10-27)9-11-28/h4-7,13,27-28H,8-12H2,1-3H3,(H,22,29)(H,21,23,24) | Definition date: | 2023-09-06 | Last modified: | 2023-11-17 | Release date: | 2023-11-22 | Identifier: | 2-[bis(2-hydroxyethyl)amino]-6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-7~{H}-purin-8-one |
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![ZJF ZJF](https://data.pdbj.org/pdbjplus/data/cc/svg/ZJF.svg) | ZJF | Name: | ~{N}-cyclopentyl-1-(3-hydroxyphenyl)imidazole-4-carboxamide | Formula: | C15 H17 N3 O2 | SMILES: | Oc1cccc(c1)n2cnc(c2)C(=O)NC3CCCC3 | InChi: | InChI=1S/C15H17N3O2/c19-13-7-3-6-12(8-13)18-9-14(16-10-18)15(20)17-11-4-1-2-5-11/h3,6-11,19H,1-2,4-5H2,(H,17,20) | Definition date: | 2023-06-26 | Last modified: | 2023-11-17 | Release date: | 2023-11-22 | Identifier: | ~{N}-cyclopentyl-1-(3-hydroxyphenyl)imidazole-4-carboxamide |
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![WJC WJC](https://data.pdbj.org/pdbjplus/data/cc/svg/WJC.svg) | WJC | Name: | 5-methyl-2-[(3-phenylmethoxyphenyl)amino]benzoic acid | Formula: | C21 H19 N O3 | SMILES: | Cc1ccc(Nc2cccc(OCc3ccccc3)c2)c(c1)C(O)=O | InChi: | InChI=1S/C21H19NO3/c1-15-10-11-20(19(12-15)21(23)24)22-17-8-5-9-18(13-17)25-14-16-6-3-2-4-7-16/h2-13,22H,14H2,1H3,(H,23,24) | Definition date: | 2023-05-15 | Last modified: | 2023-11-17 | Release date: | 2023-11-22 | Identifier: | 5-methyl-2-[(3-phenylmethoxyphenyl)amino]benzoic acid |
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![T5U T5U](https://data.pdbj.org/pdbjplus/data/cc/svg/T5U.svg) | T5U | Name: | (4S)-4-[(2S)-2-phenylbutyl]-1,3-oxazolidin-2-imine | Formula: | C13 H18 N2 O | SMILES: | CC[CH](C[CH]1COC(=N)N1)c2ccccc2 | InChi: | InChI=1S/C13H18N2O/c1-2-10(11-6-4-3-5-7-11)8-12-9-16-13(14)15-12/h3-7,10,12H,2,8-9H2,1H3,(H2,14,15)/t10-,12-/m0/s1 | Synonyms: | RO5256390 | Definition date: | 2023-09-05 | Last modified: | 2023-11-17 | Release date: | 2023-11-22 | Identifier: | (4~{S})-4-[(2~{S})-2-phenylbutyl]-1,3-oxazolidin-2-imine |
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![TIJ TIJ](https://data.pdbj.org/pdbjplus/data/cc/svg/TIJ.svg) | TIJ | Name: | 5,7-bis(oxidanyl)-2-[1-(phenylmethyl)indol-3-yl]chromen-4-one | Formula: | C24 H17 N O4 | SMILES: | Oc1cc(O)c2C(=O)C=C(Oc2c1)c3cn(Cc4ccccc4)c5ccccc35 | InChi: | InChI=1S/C24H17NO4/c26-16-10-20(27)24-21(28)12-22(29-23(24)11-16)18-14-25(13-15-6-2-1-3-7-15)19-9-5-4-8-17(18)19/h1-12,14,26-27H,13H2 | Definition date: | 2023-01-05 | Last modified: | 2023-11-17 | Release date: | 2023-11-22 | Identifier: | 5,7-bis(oxidanyl)-2-[1-(phenylmethyl)indol-3-yl]chromen-4-one |
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![IYJ IYJ](https://data.pdbj.org/pdbjplus/data/cc/svg/IYJ.svg) | IYJ | Name: | (6M)-6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine | Formula: | C9 H7 Cl2 N5 | SMILES: | Clc1cccc(c1Cl)c1nnc(N)nc1N | InChi: | InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16) | Definition date: | 2023-08-04 | Last modified: | 2023-11-17 | Release date: | 2023-11-22 | Identifier: | (6M)-6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine |
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![U42 U42](https://data.pdbj.org/pdbjplus/data/cc/svg/U42.svg) | U42 | Name: | [(2~{R},3~{S},4~{S},5~{R},6~{R})-6-[(6~{E},8~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E})-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-2-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl pentadecanoate | Formula: | C61 H96 O7 | SMILES: | CCCCCCCCCCCCCCC(=O)OC[CH]1O[CH](OC(C)(C)CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC2=C(C)CCCC2(C)C)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C61H96O7/c1-12-13-14-15-16-17-18-19-20-21-22-23-41-55(62)66-46-54-56(63)57(64)58(65)59(67-54)68-61(10,11)45-29-39-50(5)37-27-36-49(4)35-26-33-47(2)31-24-25-32-48(3)34-28-38-51(6)42-43-53-52(7)40-30-44-60(53,8)9/h24-28,31-38,42-43,54,56-59,63-65H,12-23,29-30,39-41,44-46H2,1-11H3/b25-24+,33-26+,34-28+,36-27+,43-42+,47-31+,48-32+,49-35+,50-37+,51-38+/t54-,56-,57+,58-,59-/m1/s1 | Definition date: | 2023-05-15 | Last modified: | 2023-11-17 | Release date: | 2023-11-22 | Identifier: | [(2~{R},3~{S},4~{S},5~{R},6~{R})-6-[(6~{E},8~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E})-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-2-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl pentadecanoate |
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![A3Z A3Z](https://data.pdbj.org/pdbjplus/data/cc/svg/A3Z.svg) | A3Z | Name: | ~{S}-[2-[3-[[(2~{R})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (~{E})-but-2-enethioate | Formula: | C15 H27 N2 O8 P S | SMILES: | CC=CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O | InChi: | InChI=1S/C15H27N2O8PS/c1-4-5-12(19)27-9-8-16-11(18)6-7-17-14(21)13(20)15(2,3)10-25-26(22,23)24/h4-5,13,20H,6-10H2,1-3H3,(H,16,18)(H,17,21)(H2,22,23,24)/b5-4+/t13-/m0/s1 | Definition date: | 2023-07-17 | Last modified: | 2023-11-17 | Release date: | 2023-11-22 | Identifier: | ~{S}-[2-[3-[[(2~{R})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (~{E})-but-2-enethioate |
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![A5S A5S](https://data.pdbj.org/pdbjplus/data/cc/svg/A5S.svg) | A5S | Name: | ~{S}-[2-[3-[[(2~{R})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] 3-oxidanylidenebutanethioate | Formula: | C15 H27 N2 O9 P S | SMILES: | CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O | InChi: | InChI=1S/C15H27N2O9PS/c1-10(18)8-12(20)28-7-6-16-11(19)4-5-17-14(22)13(21)15(2,3)9-26-27(23,24)25/h13,21H,4-9H2,1-3H3,(H,16,19)(H,17,22)(H2,23,24,25)/t13-/m0/s1 | Definition date: | 2023-07-17 | Last modified: | 2023-11-17 | Release date: | 2023-11-22 | Identifier: | ~{S}-[2-[3-[[(2~{R})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] 3-oxidanylidenebutanethioate |
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![K1C K1C](https://data.pdbj.org/pdbjplus/data/cc/svg/K1C.svg) | K1C | Name: | 9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{S})-8-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]purin-6-amine | Formula: | C21 H24 F2 N10 O9 P2 | SMILES: | Nc1ncnc2n(cnc12)[CH]3C[CH]4CO[P](O)(=O)O[CH]5[CH](F)[CH](O[CH]5CO[P](O)(=O)O[CH]4[CH]3F)n6cnc7c(N)ncnc67 | InChi: | InChI=1S/C21H24F2N10O9P2/c22-11-9(32-6-30-13-17(24)26-4-28-19(13)32)1-8-2-38-43(34,35)42-16-10(3-39-44(36,37)41-15(8)11)40-21(12(16)23)33-7-31-14-18(25)27-5-29-20(14)33/h4-12,15-16,21H,1-3H2,(H,34,35)(H,36,37)(H2,24,26,28)(H2,25,27,29)/t8-,9-,10-,11+,12-,15-,16-,21-/m1/s1 | Definition date: | 2022-05-16 | Last modified: | 2023-11-17 | Release date: | 2023-11-22 | Identifier: | 9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{S})-8-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]purin-6-amine |
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![E8T E8T](https://data.pdbj.org/pdbjplus/data/cc/svg/E8T.svg) | E8T | Name: | (1Z,3E,5S,7S,8R,9S,10S,11R,13R,15R,16S,18Z,25S)-11-ethyl-2,7-dihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.09,13.08,15.05,16]octacosa-1(2),3,18-triene-20,27,28-trione | Formula: | C29 H40 N2 O5 | SMILES: | CC[CH]1C[CH]2C[CH]3[CH]4CC=CC(=O)NCCC[CH]5NC(=O)C(=C(O)C=C[CH]4C[CH](O)[CH]3[CH]2[CH]1C)C5=O | InChi: | InChI=1S/C29H40N2O5/c1-3-16-12-18-13-20-19-6-4-8-24(34)30-11-5-7-21-28(35)27(29(36)31-21)22(32)10-9-17(19)14-23(33)26(20)25(18)15(16)2/h4,8-10,15-21,23,25-26,32-33H,3,5-7,11-14H2,1-2H3,(H,30,34)(H,31,36)/b8-4-,10-9+,27-22-/t15-,16+,17+,18+,19-,20+,21-,23-,25+,26-/m0/s1 | Synonyms: | 10-epi-deOH-HSAF | Definition date: | 2023-06-14 | Last modified: | 2023-11-17 | Release date: | 2023-11-22 |
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![LN9 LN9](https://data.pdbj.org/pdbjplus/data/cc/svg/LN9.svg) | LN9 | Name: | 1-[2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,6-bis(oxidanyl)phenyl]-3-(4-hydroxyphenyl)propan-1-one | Formula: | C21 H24 O10 | SMILES: | OC[CH]1O[CH](Oc2cc(O)cc(O)c2C(=O)CCc3ccc(O)cc3)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1 | Synonyms: | Phlorizin | Definition date: | 2022-12-01 | Last modified: | 2023-11-17 | Release date: | 2023-11-22 | Identifier: | 1-[2-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,6-bis(oxidanyl)phenyl]-3-(4-hydroxyphenyl)propan-1-one |
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![L6X L6X](https://data.pdbj.org/pdbjplus/data/cc/svg/L6X.svg) | L6X | Name: | 4-methoxy-3-oxidanyl-benzoic acid | Formula: | C8 H8 O4 | SMILES: | COc1ccc(cc1O)C(O)=O | InChi: | InChI=1S/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11) | Definition date: | 2022-11-16 | Last modified: | 2023-11-17 | Release date: | 2023-11-22 | Identifier: | 4-methoxy-3-oxidanyl-benzoic acid |
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![NF0 NF0](https://data.pdbj.org/pdbjplus/data/cc/svg/NF0.svg) | NF0 | Name: | butyl 3,4,5-tris(oxidanyl)benzoate | Formula: | C11 H14 O5 | SMILES: | CCCCOC(=O)c1cc(O)c(O)c(O)c1 | InChi: | InChI=1S/C11H14O5/c1-2-3-4-16-11(15)7-5-8(12)10(14)9(13)6-7/h5-6,12-14H,2-4H2,1H3 | Synonyms: | butyl gallate | Definition date: | 2023-01-13 | Last modified: | 2023-11-17 | Release date: | 2023-11-22 | Identifier: | butyl 3,4,5-tris(oxidanyl)benzoate |
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![OJX OJX](https://data.pdbj.org/pdbjplus/data/cc/svg/OJX.svg) | OJX | Name: | 5-methyl-4-oxidanyl-pyrazin-4-ium-2-carboxylic acid | Formula: | C6 H7 N2 O3 | SMILES: | Cc1cnc(c[n+]1O)C(O)=O | InChi: | InChI=1S/C6H6N2O3/c1-4-2-7-5(6(9)10)3-8(4)11/h2-3H,1H3,(H-,7,9,10,11)/p+1 | Definition date: | 2023-02-07 | Last modified: | 2023-11-17 | Release date: | 2023-11-22 | Identifier: | 5-methyl-4-oxidanyl-pyrazin-4-ium-2-carboxylic acid |
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![OVR OVR](https://data.pdbj.org/pdbjplus/data/cc/svg/OVR.svg) | OVR | Name: | (1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2S)-3-hydroxy-2-phenylpropanoate | Formula: | C17 H23 N O4 | SMILES: | CN1C2CC(CC1C(O)C2)OC(=O)C(CO)c1ccccc1 | InChi: | InChI=1S/C17H23NO4/c1-18-12-7-13(9-15(18)16(20)8-12)22-17(21)14(10-19)11-5-3-2-4-6-11/h2-6,12-16,19-20H,7-10H2,1H3/t12-,13-,14+,15+,16-/m0/s1 | Definition date: | 2022-05-18 | Last modified: | 2023-11-17 | Release date: | 2023-11-22 | Identifier: | (1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2S)-3-hydroxy-2-phenylpropanoate |
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![OW0 OW0](https://data.pdbj.org/pdbjplus/data/cc/svg/OW0.svg) | OW0 | Name: | (1R,2R,4S,5S,7s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-7-yl (2S)-3-hydroxy-2-phenylpropanoate | Formula: | C17 H21 N O4 | SMILES: | OCC(c1ccccc1)C(=O)OC1CC2N(C)C(C1)C1OC21 | InChi: | InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12-,13-,14+,15-,16+/m1/s1 | Definition date: | 2022-05-18 | Last modified: | 2023-11-17 | Release date: | 2023-11-22 | Identifier: | (1R,2R,4S,5S,7s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-7-yl (2S)-3-hydroxy-2-phenylpropanoate |
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![QKO QKO](https://data.pdbj.org/pdbjplus/data/cc/svg/QKO.svg) | QKO | Name: | 1-[(3~{R})-1-(6-nitropyridin-2-yl)pyrrolidin-3-yl]-3-(4-sulfamoylphenyl)thiourea | Formula: | C16 H18 N6 O4 S2 | SMILES: | N[S](=O)(=O)c1ccc(NC(=S)N[CH]2CCN(C2)c3cccc(n3)[N+]([O-])=O)cc1 | InChi: | InChI=1S/C16H18N6O4S2/c17-28(25,26)13-6-4-11(5-7-13)18-16(27)19-12-8-9-21(10-12)14-2-1-3-15(20-14)22(23)24/h1-7,12H,8-10H2,(H2,17,25,26)(H2,18,19,27)/t12-/m1/s1 | Synonyms: | (R)-4-(3-(1-(6-nitropyridin-2-yl)pyrrolidin-3-yl)thioureido)benzenesulfonamide | Definition date: | 2022-11-08 | Last modified: | 2023-11-17 | Release date: | 2023-11-22 | Identifier: | 1-[(3~{R})-1-(6-nitropyridin-2-yl)pyrrolidin-3-yl]-3-(4-sulfamoylphenyl)thiourea |
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![QQC QQC](https://data.pdbj.org/pdbjplus/data/cc/svg/QQC.svg) | QQC | Name: | 3-[(4-chloranyl-2-fluoranyl-phenyl)methyl]-2-methyl-~{N}-(5-methyl-1~{H}-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine | Formula: | C23 H25 Cl F N7 O | SMILES: | Cc1[nH]nc(Nc2cc(CN3CCOCC3)c4nc(C)c(Cc5ccc(Cl)cc5F)n4n2)c1 | InChi: | InChI=1S/C23H25ClFN7O/c1-14-9-21(29-28-14)27-22-11-17(13-31-5-7-33-8-6-31)23-26-15(2)20(32(23)30-22)10-16-3-4-18(24)12-19(16)25/h3-4,9,11-12H,5-8,10,13H2,1-2H3,(H2,27,28,29,30) | Definition date: | 2022-11-11 | Last modified: | 2023-11-17 | Release date: | 2023-11-22 | Identifier: | 3-[(4-chloranyl-2-fluoranyl-phenyl)methyl]-2-methyl-~{N}-(5-methyl-1~{H}-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine |
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![QTI QTI](https://data.pdbj.org/pdbjplus/data/cc/svg/QTI.svg) | QTI | Name: | 3-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]sulfonylbenzenesulfonamide | Formula: | C21 H22 F N3 O4 S3 | SMILES: | N[S](=O)(=O)c1cccc(c1)[S](=O)(=O)N2CCN(CC2)Cc3sc(cc3)c4ccccc4F | InChi: | InChI=1S/C21H22FN3O4S3/c22-20-7-2-1-6-19(20)21-9-8-16(30-21)15-24-10-12-25(13-11-24)32(28,29)18-5-3-4-17(14-18)31(23,26)27/h1-9,14H,10-13,15H2,(H2,23,26,27) | Definition date: | 2022-11-14 | Last modified: | 2023-11-17 | Release date: | 2023-11-22 | Identifier: | 3-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]sulfonylbenzenesulfonamide |
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![QXU QXU](https://data.pdbj.org/pdbjplus/data/cc/svg/QXU.svg) | QXU | Name: | 1-[(2~{S},3~{R})-3-phenyloxiran-2-yl]ethanone | Formula: | C10 H10 O2 | SMILES: | CC(=O)[CH]1O[CH]1c2ccccc2 | InChi: | InChI=1S/C10H10O2/c1-7(11)9-10(12-9)8-5-3-2-4-6-8/h2-6,9-10H,1H3/t9-,10-/m1/s1 | Definition date: | 2022-11-16 | Last modified: | 2023-11-17 | Release date: | 2023-11-22 | Identifier: | 1-[(2~{S},3~{R})-3-phenyloxiran-2-yl]ethanone |
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![QY3 QY3](https://data.pdbj.org/pdbjplus/data/cc/svg/QY3.svg) | QY3 | Name: | 2-azanyl-5-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]sulfonyl-benzenesulfonamide | Formula: | C21 H23 F N4 O4 S3 | SMILES: | Nc1ccc(cc1[S](N)(=O)=O)[S](=O)(=O)N2CCN(CC2)Cc3sc(cc3)c4ccccc4F | InChi: | InChI=1S/C21H23FN4O4S3/c22-18-4-2-1-3-17(18)20-8-5-15(31-20)14-25-9-11-26(12-10-25)33(29,30)16-6-7-19(23)21(13-16)32(24,27)28/h1-8,13H,9-12,14,23H2,(H2,24,27,28) | Definition date: | 2022-11-16 | Last modified: | 2023-11-17 | Release date: | 2023-11-22 | Identifier: | 2-azanyl-5-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]sulfonyl-benzenesulfonamide |
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![IJJ IJJ](https://data.pdbj.org/pdbjplus/data/cc/svg/IJJ.svg) | IJJ | Name: | 3-(3,4-dimethoxyphenyl)-~{N}-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,4-oxadiazole-5-carboxamide | Formula: | C21 H23 N3 O6 | SMILES: | COc1ccc(CCNC(=O)c2onc(n2)c3ccc(OC)c(OC)c3)cc1OC | InChi: | InChI=1S/C21H23N3O6/c1-26-15-7-5-13(11-17(15)28-3)9-10-22-20(25)21-23-19(24-30-21)14-6-8-16(27-2)18(12-14)29-4/h5-8,11-12H,9-10H2,1-4H3,(H,22,25) | Definition date: | 2023-08-01 | Last modified: | 2023-11-17 | Release date: | 2023-11-22 | Identifier: | 3-(3,4-dimethoxyphenyl)-~{N}-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,4-oxadiazole-5-carboxamide |
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![IKG IKG](https://data.pdbj.org/pdbjplus/data/cc/svg/IKG.svg) | IKG | Name: | ~{N}-[(1~{R})-2-[4-(azetidin-1-ylcarbonyl)phenyl]-1-cyano-ethyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide | Formula: | C24 H23 N5 O5 | SMILES: | COc1ccc(cc1OC)c2noc(n2)C(=O)N[CH](Cc3ccc(cc3)C(=O)N4CCC4)C#N | InChi: | InChI=1S/C24H23N5O5/c1-32-19-9-8-17(13-20(19)33-2)21-27-23(34-28-21)22(30)26-18(14-25)12-15-4-6-16(7-5-15)24(31)29-10-3-11-29/h4-9,13,18H,3,10-12H2,1-2H3,(H,26,30)/t18-/m1/s1 | Synonyms: | ACV thioaldehyde | Definition date: | 2023-08-01 | Last modified: | 2023-11-17 | Release date: | 2023-11-22 | Identifier: | ~{N}-[(1~{R})-2-[4-(azetidin-1-ylcarbonyl)phenyl]-1-cyano-ethyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide |
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