 | | UOU | | Name: | 1-[4-[[2-[(4-chlorophenyl)methoxy]phenyl]methoxy]phenyl]-N-methyl-methanamine | | Formula: | C22 H22 Cl N O2 | | SMILES: | CNCc1ccc(OCc2ccccc2OCc3ccc(Cl)cc3)cc1 | | InChi: | InChI=1S/C22H22ClNO2/c1-24-14-17-8-12-21(13-9-17)25-16-19-4-2-3-5-22(19)26-15-18-6-10-20(23)11-7-18/h2-13,24H,14-16H2,1H3 | | Definition date: | 2023-06-13 | | Last modified: | 2023-08-25 | | Release date: | 2023-08-30 | | Identifier: | 1-[4-[[2-[(4-chlorophenyl)methoxy]phenyl]methoxy]phenyl]-~{N}-methyl-methanamine |
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 | | P5X | | Name: | N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylamino)phenyl]-2-(isoquinolin-4-yl)acetamide | | Formula: | C24 H22 Cl N3 O S | | SMILES: | Clc1cc(CN(C(=O)Cc2cncc3ccccc32)c2ccc(cc2)N(C)C)sc1 | | InChi: | InChI=1S/C24H22ClN3OS/c1-27(2)20-7-9-21(10-8-20)28(15-22-12-19(25)16-30-22)24(29)11-18-14-26-13-17-5-3-4-6-23(17)18/h3-10,12-14,16H,11,15H2,1-2H3 | | Definition date: | 2022-05-25 | | Last modified: | 2023-08-25 | | Release date: | 2023-08-30 | | Identifier: | N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylamino)phenyl]-2-(isoquinolin-4-yl)acetamide |
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 | | P6I | | Name: | N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)-N-[4-(methylsulfanyl)phenyl]acetamide | | Formula: | C23 H19 Cl N2 O S2 | | SMILES: | Clc1cc(CN(C(=O)Cc2cncc3ccccc32)c2ccc(SC)cc2)sc1 | | InChi: | InChI=1S/C23H19ClN2OS2/c1-28-20-8-6-19(7-9-20)26(14-21-11-18(24)15-29-21)23(27)10-17-13-25-12-16-4-2-3-5-22(16)17/h2-9,11-13,15H,10,14H2,1H3 | | Definition date: | 2022-05-25 | | Last modified: | 2023-08-25 | | Release date: | 2023-08-30 | | Identifier: | N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)-N-[4-(methylsulfanyl)phenyl]acetamide |
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 | | P6R | | Name: | N-(4-tert-butylphenyl)-N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)acetamide | | Formula: | C26 H25 Cl N2 O S | | SMILES: | Clc1cc(CN(C(=O)Cc2cncc3ccccc32)c2ccc(cc2)C(C)(C)C)sc1 | | InChi: | InChI=1S/C26H25ClN2OS/c1-26(2,3)20-8-10-22(11-9-20)29(16-23-13-21(27)17-31-23)25(30)12-19-15-28-14-18-6-4-5-7-24(18)19/h4-11,13-15,17H,12,16H2,1-3H3 | | Definition date: | 2022-05-25 | | Last modified: | 2023-08-25 | | Release date: | 2023-08-30 | | Identifier: | N-(4-tert-butylphenyl)-N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)acetamide |
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 | | P7L | | Name: | N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)-N-(4-methoxyphenyl)acetamide | | Formula: | C23 H19 Cl N2 O2 S | | SMILES: | Clc1cc(CN(C(=O)Cc2cncc3ccccc32)c2ccc(OC)cc2)sc1 | | InChi: | InChI=1S/C23H19ClN2O2S/c1-28-20-8-6-19(7-9-20)26(14-21-11-18(24)15-29-21)23(27)10-17-13-25-12-16-4-2-3-5-22(16)17/h2-9,11-13,15H,10,14H2,1H3 | | Definition date: | 2022-05-25 | | Last modified: | 2023-08-25 | | Release date: | 2023-08-30 | | Identifier: | N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)-N-(4-methoxyphenyl)acetamide |
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 | | P8A | | Name: | 5-butyl-1~{H}-pyrazole-3-carboxylic acid | | Formula: | C8 H12 N2 O2 | | SMILES: | CCCCc1[nH]nc(c1)C(O)=O | | InChi: | InChI=1S/C8H12N2O2/c1-2-3-4-6-5-7(8(11)12)10-9-6/h5H,2-4H2,1H3,(H,9,10)(H,11,12) | | Definition date: | 2023-03-04 | | Last modified: | 2023-08-25 | | Release date: | 2023-08-30 | | Identifier: | 5-butyl-1~{H}-pyrazole-3-carboxylic acid |
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 | | P9X | | Name: | (5~{S})-5-methyl-4-oxidanylidene-5-phenyl-furan-2-carboxylic acid | | Formula: | C12 H10 O4 | | SMILES: | C[C]1(OC(=CC1=O)C(O)=O)c2ccccc2 | | InChi: | InChI=1S/C12H10O4/c1-12(8-5-3-2-4-6-8)10(13)7-9(16-12)11(14)15/h2-7H,1H3,(H,14,15)/t12-/m0/s1 | | Synonyms: | Acifran | | Definition date: | 2023-03-05 | | Last modified: | 2023-08-25 | | Release date: | 2023-08-30 | | Identifier: | (5~{S})-5-methyl-4-oxidanylidene-5-phenyl-furan-2-carboxylic acid |
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 | | 22R | | Name: | 2-(2-methyl-5-phenyl-1H-indole-3-yl)ethan-1-amine | | Formula: | C17 H18 N2 | | SMILES: | Cc1[nH]c2ccc(cc2c1CCN)c3ccccc3 | | InChi: | InChI=1S/C17H18N2/c1-12-15(9-10-18)16-11-14(7-8-17(16)19-12)13-5-3-2-4-6-13/h2-8,11,19H,9-10,18H2,1H3 | | Definition date: | 2022-01-26 | | Last modified: | 2023-08-25 | | Release date: | 2023-08-30 | | Identifier: | 2-(2-methyl-5-phenyl-1~{H}-indol-3-yl)ethanamine |
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 | | HX1 | | Name: | 4-butylbenzoic acid | | Formula: | C11 H14 O2 | | SMILES: | O=C(O)c1ccc(CCCC)cc1 | | InChi: | InChI=1S/C11H14O2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h5-8H,2-4H2,1H3,(H,12,13) | | Definition date: | 2023-08-24 | | Last modified: | 2023-08-25 | | Release date: | 2023-08-30 | | Identifier: | 4-butylbenzoic acid |
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 | | VZA | | Name: | methyl(1,2,3,6-tetrahydropyridin-4-yl)phosphinic acid | | Formula: | C6 H12 N O2 P | | SMILES: | C[P](O)(=O)C1=CCNCC1 | | InChi: | InChI=1S/C6H12NO2P/c1-10(8,9)6-2-4-7-5-3-6/h2,7H,3-5H2,1H3,(H,8,9) | | Synonyms: | 1,2,5,6-Tetrahydropyridin-4-yl)methylphosphinic acid | | Definition date: | 2023-04-18 | | Last modified: | 2023-08-25 | | Release date: | 2023-08-30 | | Identifier: | methyl(1,2,3,6-tetrahydropyridin-4-yl)phosphinic acid |
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 | | S6O | | Name: | ~{N}-[2-[(2-carbamimidoyl-1-benzothiophen-4-yl)-methyl-amino]ethyl]-2-(4-chloranylphenoxy)-~{N},2-dimethyl-propanamide | | Formula: | C23 H27 Cl N4 O2 S | | SMILES: | CN(CCN(C)c1cccc2sc(cc12)C(N)=N)C(=O)C(C)(C)Oc3ccc(Cl)cc3 | | InChi: | InChI=1S/C23H27ClN4O2S/c1-23(2,30-16-10-8-15(24)9-11-16)22(29)28(4)13-12-27(3)18-6-5-7-19-17(18)14-20(31-19)21(25)26/h5-11,14H,12-13H2,1-4H3,(H3,25,26) | | Definition date: | 2022-12-14 | | Last modified: | 2023-08-25 | | Release date: | 2023-08-30 | | Identifier: | ~{N}-[2-[(2-carbamimidoyl-1-benzothiophen-4-yl)-methyl-amino]ethyl]-2-(4-chloranylphenoxy)-~{N},2-dimethyl-propanamide |
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 | | W5I | | Name: | methyl (2~{R})-2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoate | | Formula: | C10 H13 N O4 | | SMILES: | COC(=O)[CH](N)Cc1ccc(O)c(O)c1 | | InChi: | InChI=1S/C10H13NO4/c1-15-10(14)7(11)4-6-2-3-8(12)9(13)5-6/h2-3,5,7,12-13H,4,11H2,1H3/t7-/m1/s1 | | Definition date: | 2023-04-28 | | Last modified: | 2023-08-25 | | Release date: | 2023-08-30 | | Identifier: | methyl (2~{R})-2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoate |
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 | | W65 | | Name: | 2,2-bis(fluoranyl)-1-phenyl-ethanone | | Formula: | C8 H6 F2 O | | SMILES: | FC(F)C(=O)c1ccccc1 | | InChi: | InChI=1S/C8H6F2O/c9-8(10)7(11)6-4-2-1-3-5-6/h1-5,8H | | Definition date: | 2023-05-09 | | Last modified: | 2023-08-25 | | Release date: | 2023-08-30 | | Identifier: | 2,2-bis(fluoranyl)-1-phenyl-ethanone |
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 | | WGE | | Name: | benzyl (3S)-3-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-2-azaspiro[4.4]nonane-2-carboxylate | | Formula: | C24 H33 N3 O5 | | SMILES: | O=C1NCCC1CC(CO)NC(=O)C1CC2(CCCC2)CN1C(=O)OCc1ccccc1 | | InChi: | InChI=1S/C24H33N3O5/c28-14-19(12-18-8-11-25-21(18)29)26-22(30)20-13-24(9-4-5-10-24)16-27(20)23(31)32-15-17-6-2-1-3-7-17/h1-3,6-7,18-20,28H,4-5,8-16H2,(H,25,29)(H,26,30)/t18-,19-,20-/m0/s1 | | Definition date: | 2023-05-12 | | Last modified: | 2023-08-25 | | Release date: | 2023-08-30 | | Identifier: | benzyl (3S)-3-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-2-azaspiro[4.4]nonane-2-carboxylate |
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 | | WGI | | Name: | benzyl (3S)-3-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-2-azaspiro[4.5]decane-2-carboxylate | | Formula: | C25 H35 N3 O5 | | SMILES: | O=C1NCCC1CC(CO)NC(=O)C1CC2(CCCCC2)CN1C(=O)OCc1ccccc1 | | InChi: | InChI=1S/C25H35N3O5/c29-15-20(13-19-9-12-26-22(19)30)27-23(31)21-14-25(10-5-2-6-11-25)17-28(21)24(32)33-16-18-7-3-1-4-8-18/h1,3-4,7-8,19-21,29H,2,5-6,9-17H2,(H,26,30)(H,27,31)/t19-,20-,21-/m0/s1 | | Definition date: | 2023-05-12 | | Last modified: | 2023-08-25 | | Release date: | 2023-08-30 | | Identifier: | benzyl (3S)-3-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-2-azaspiro[4.5]decane-2-carboxylate |
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 | | WIV | | Name: | 6-cyclopropyl-~{N}-(2-methylindazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide | | Formula: | C21 H22 N6 O | | SMILES: | CC(C)n1ncc2c1nc(cc2C(=O)Nc3ccc4nn(C)cc4c3)C5CC5 | | InChi: | InChI=1S/C21H22N6O/c1-12(2)27-20-17(10-22-27)16(9-19(24-20)13-4-5-13)21(28)23-15-6-7-18-14(8-15)11-26(3)25-18/h6-13H,4-5H2,1-3H3,(H,23,28) | | Definition date: | 2023-05-15 | | Last modified: | 2023-08-25 | | Release date: | 2023-08-30 | | Identifier: | 6-cyclopropyl-~{N}-(2-methylindazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide |
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 | | UZF | | Name: | 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-sulfanyl-ethanone | | Formula: | C16 H15 N O S | | SMILES: | SCC(=O)N1c2ccccc2CCc3ccccc13 | | InChi: | InChI=1S/C16H15NOS/c18-16(11-19)17-14-7-3-1-5-12(14)9-10-13-6-2-4-8-15(13)17/h1-8,19H,9-11H2 | | Definition date: | 2023-06-30 | | Last modified: | 2023-08-25 | | Release date: | 2023-08-30 | | Identifier: | 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-sulfanyl-ethanone |
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 | | WJL | | Name: | 6-cyclopropyl-~{N}-(1~{H}-indazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide | | Formula: | C20 H20 N6 O | | SMILES: | CC(C)n1ncc2c1nc(cc2C(=O)Nc3ccc4[nH]ncc4c3)C5CC5 | | InChi: | InChI=1S/C20H20N6O/c1-11(2)26-19-16(10-22-26)15(8-18(24-19)12-3-4-12)20(27)23-14-5-6-17-13(7-14)9-21-25-17/h5-12H,3-4H2,1-2H3,(H,21,25)(H,23,27) | | Definition date: | 2023-05-16 | | Last modified: | 2023-08-25 | | Release date: | 2023-08-30 | | Identifier: | 6-cyclopropyl-~{N}-(1~{H}-indazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide |
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 | | WK5 | | Name: | 8-methoxy-1-(4-methoxyphenyl)-3-methyl-2-oxidanyl-[1]benzofuro[3,2-c]pyridine | | Formula: | C20 H18 N O4 | | SMILES: | COc1ccc(cc1)c2c3c(oc4ccc(OC)cc34)cc(C)[n]2O | | InChi: | InChI=1S/C20H18NO4/c1-12-10-18-19(16-11-15(24-3)8-9-17(16)25-18)20(21(12)22)13-4-6-14(23-2)7-5-13/h4-11,22H,1-3H3 | | Definition date: | 2023-05-16 | | Last modified: | 2023-08-25 | | Release date: | 2023-08-30 | | Identifier: | 8-methoxy-1-(4-methoxyphenyl)-3-methyl-2-oxidanyl-[1]benzofuro[3,2-c]pyridine |
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 | | WZK | | Name: | N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylamino)phenyl]-2-(5-hydroxyisoquinolin-4-yl)acetamide | | Formula: | C24 H22 Cl N3 O2 S | | SMILES: | Clc1cc(CN(C(=O)Cc2cncc3cccc(O)c32)c2ccc(cc2)N(C)C)sc1 | | InChi: | InChI=1S/C24H22ClN3O2S/c1-27(2)19-6-8-20(9-7-19)28(14-21-11-18(25)15-31-21)23(30)10-17-13-26-12-16-4-3-5-22(29)24(16)17/h3-9,11-13,15,29H,10,14H2,1-2H3 | | Definition date: | 2023-05-24 | | Last modified: | 2023-08-25 | | Release date: | 2023-08-30 | | Identifier: | N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylamino)phenyl]-2-(5-hydroxyisoquinolin-4-yl)acetamide |
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 | | ZWY | | Name: | 17-oxoandrost-5-en-3beta-yl hydrogen sulfate | | Formula: | C19 H28 O5 S | | SMILES: | O=S(=O)(O)OC1CCC2(C)C3CCC4(C)C(CCC4=O)C3CC=C2C1 | | InChi: | InChI=1S/C19H28O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h3,13-16H,4-11H2,1-2H3,(H,21,22,23)/t13-,14-,15-,16-,18-,19-/m0/s1 | | Synonyms: | Dehydroepiandrosterone sulfate | | Definition date: | 2023-04-17 | | Last modified: | 2023-08-22 | | Release date: | 2023-06-07 | | Identifier: | 17-oxo-8alpha,10alpha,13alpha,14beta-androst-5-en-3alpha-yl hydrogen sulfate |
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 | | XPK | | Name: | [(1~{R})-1-[(3~{S},5~{S},8~{R},9~{S},10~{S},13~{S},17~{R})-3-methanoyloxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]ethyl]-methylidyne-azanium | | Formula: | C23 H35 N O2 | | SMILES: | [C-]#[N+]C(C)C1CCC2C3CCC4CC(CCC4(C)C3CCC12C)OC=O | | InChi: | InChI=1S/C23H35NO2/c1-15(24-4)19-7-8-20-18-6-5-16-13-17(26-14-25)9-11-22(16,2)21(18)10-12-23(19,20)3/h14-21H,5-13H2,1-3H3/t15-,16+,17+,18+,19+,20-,21+,22+,23-/m1/s1 | | Definition date: | 2022-12-05 | | Last modified: | 2023-08-18 | | Release date: | 2023-08-23 | | Identifier: | (20R)-20-isocyano-5alpha,8alpha-pregnan-3alpha-yl formate |
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 | | ZTI | | Name: | 4-pyridin-2-yl-1,3-thiazol-2-amine | | Formula: | C8 H7 N3 S | | SMILES: | Nc1scc(n1)c2ccccn2 | | InChi: | InChI=1S/C8H7N3S/c9-8-11-7(5-12-8)6-3-1-2-4-10-6/h1-5H,(H2,9,11) | | Definition date: | 2023-07-04 | | Last modified: | 2023-08-18 | | Release date: | 2023-08-23 | | Identifier: | 4-pyridin-2-yl-1,3-thiazol-2-amine |
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 | | I8E | | Name: | Tetrahydrocannabivarin | | Formula: | C19 H26 O2 | | SMILES: | CCCc1cc2OC(C)(C)C3CCC(C)=CC3c2c(O)c1 | | InChi: | InChI=1S/C19H26O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h9-11,14-15,20H,5-8H2,1-4H3/t14-,15-/m1/s1 | | Synonyms: | (6aR,10aR)-6,6,9-trimethyl-3-propyl-6a,7,8,10a-tetrahydro-6H-dibenzo[b,d]pyran-1-ol | | Definition date: | 2023-05-04 | | Last modified: | 2023-08-18 | | Release date: | 2023-08-23 | | Identifier: | (6aR,10aR)-6,6,9-trimethyl-3-propyl-6a,7,8,10a-tetrahydro-6H-dibenzo[b,d]pyran-1-ol |
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 | | 0IH | | Name: | (2R)-2-[[2-(5-chloranylthiophen-2-yl)-4-oxidanylidene-6-[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]quinazolin-3-yl]methyl]-3-(4-chlorophenyl)propanoic acid | | Formula: | C29 H20 Cl2 N6 O3 S | | SMILES: | OC(=O)[CH](CN1C(=O)c2cc(ccc2N=C1c3sc(Cl)cc3)c4ccccc4c5[nH]nnn5)Cc6ccc(Cl)cc6 | | InChi: | InChI=1S/C29H20Cl2N6O3S/c30-19-8-5-16(6-9-19)13-18(29(39)40)15-37-27(24-11-12-25(31)41-24)32-23-10-7-17(14-22(23)28(37)38)20-3-1-2-4-21(20)26-33-35-36-34-26/h1-12,14,18H,13,15H2,(H,39,40)(H,33,34,35,36)/t18-/m1/s1 | | Definition date: | 2022-10-03 | | Last modified: | 2023-08-18 | | Release date: | 2023-08-23 | | Identifier: | (2~{R})-2-[[2-(5-chloranylthiophen-2-yl)-4-oxidanylidene-6-[2-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]quinazolin-3-yl]methyl]-3-(4-chlorophenyl)propanoic acid |
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