 | | SVU | | Name: | 1-(1-ethyl-1H-pyrazol-3-yl)-N-methylmethanamine | | Formula: | C7 H13 N3 | | SMILES: | CCn1ccc(CNC)n1 | | InChi: | InChI=1S/C7H13N3/c1-3-10-5-4-7(9-10)6-8-2/h4-5,8H,3,6H2,1-2H3 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 1-(1-ethyl-1H-pyrazol-3-yl)-N-methylmethanamine |
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 | | SW9 | | Name: | 4-{[(1M)-buta-1,2-dien-1-yl](methyl)amino}-1lambda~6~-thiane-1,1-dione | | Formula: | C10 H17 N O2 S | | SMILES: | O=S1(=O)CCC(CC1)N(C)C=C=CC | | InChi: | InChI=1S/C10H17NO2S/c1-3-4-7-11(2)10-5-8-14(12,13)9-6-10/h3,7,10H,5-6,8-9H2,1-2H3 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 4-{[(1M)-buta-1,2-dien-1-yl](methyl)amino}-1lambda~6~-thiane-1,1-dione |
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 | | SX9 | | Name: | 1-{4-[(1E)-3-phenylprop-1-en-1-yl]piperazin-1-yl}ethan-1-one | | Formula: | C15 H20 N2 O | | SMILES: | O=C(C)N1CCN(/C=C/Cc2ccccc2)CC1 | | InChi: | InChI=1S/C15H20N2O/c1-14(18)17-12-10-16(11-13-17)9-5-8-15-6-3-2-4-7-15/h2-7,9H,8,10-13H2,1H3/b9-5+ | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 1-{4-[(1E)-3-phenylprop-1-en-1-yl]piperazin-1-yl}ethan-1-one |
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 | | SY3 | | Name: | N-(5-fluoro-2-methylphenyl)pyridine-4-carboxamide | | Formula: | C13 H11 F N2 O | | SMILES: | O=C(Nc1cc(F)ccc1C)c1ccncc1 | | InChi: | InChI=1S/C13H11FN2O/c1-9-2-3-11(14)8-12(9)16-13(17)10-4-6-15-7-5-10/h2-8H,1H3,(H,16,17) | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | N-(5-fluoro-2-methylphenyl)pyridine-4-carboxamide |
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 | | SYX | | Name: | (4-methylpiperazin-1-yl)[(2R)-oxolan-2-yl]methanone | | Formula: | C10 H18 N2 O2 | | SMILES: | O=C(N1CCN(C)CC1)C1CCCO1 | | InChi: | InChI=1S/C10H18N2O2/c1-11-4-6-12(7-5-11)10(13)9-3-2-8-14-9/h9H,2-8H2,1H3/t9-/m1/s1 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (4-methylpiperazin-1-yl)[(2R)-oxolan-2-yl]methanone |
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 | | SZX | | Name: | (2R)-N-(pyridin-2-yl)-1,4-dioxane-2-carboxamide | | Formula: | C10 H12 N2 O3 | | SMILES: | O=C(Nc1ccccn1)C1COCCO1 | | InChi: | InChI=1S/C10H12N2O3/c13-10(8-7-14-5-6-15-8)12-9-3-1-2-4-11-9/h1-4,8H,5-7H2,(H,11,12,13)/t8-/m1/s1 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (2R)-N-(pyridin-2-yl)-1,4-dioxane-2-carboxamide |
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 | | T0O | | Name: | 5-chloro-1H-imidazole | | Formula: | C3 H3 Cl N2 | | SMILES: | Clc1cnc[NH]1 | | InChi: | InChI=1S/C3H3ClN2/c4-3-1-5-2-6-3/h1-2H,(H,5,6) | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 5-chloro-1H-imidazole |
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 | | T1U | | Name: | (1-methyl-1H-benzimidazol-2-yl)methanol | | Formula: | C9 H10 N2 O | | SMILES: | OCc1nc2ccccc2n1C | | InChi: | InChI=1S/C9H10N2O/c1-11-8-5-3-2-4-7(8)10-9(11)6-12/h2-5,12H,6H2,1H3 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (1-methyl-1H-benzimidazol-2-yl)methanol |
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 | | T2U | | Name: | 2-chloro-1,3-benzoxazole | | Formula: | C7 H4 Cl N O | | SMILES: | Clc1nc2ccccc2o1 | | InChi: | InChI=1S/C7H4ClNO/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 2-chloro-1,3-benzoxazole |
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 | | UO6 | | Name: | 4-[(E)-[4-methanoyl-6-methyl-5-oxidanyl-3-(phosphonooxymethyl)pyridin-2-yl]diazenyl]benzene-1,3-disulfonic acid | | Formula: | C14 H14 N3 O12 P S2 | | SMILES: | Cc1nc(N=Nc2ccc(cc2[S](O)(=O)=O)[S](O)(=O)=O)c(CO[P](O)(O)=O)c(C=O)c1O | | InChi: | InChI=1S/C14H14N3O12PS2/c1-7-13(19)9(5-18)10(6-29-30(20,21)22)14(15-7)17-16-11-3-2-8(31(23,24)25)4-12(11)32(26,27)28/h2-5,19H,6H2,1H3,(H2,20,21,22)(H,23,24,25)(H,26,27,28)/b17-16+ | | Synonyms: | Ppads | | Definition date: | 2023-06-10 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 4-[(~{E})-[4-methanoyl-6-methyl-5-oxidanyl-3-(phosphonooxymethyl)pyridin-2-yl]diazenyl]benzene-1,3-disulfonic acid |
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 | | NWR | | Name: | (8~{S},14~{S},18~{E})-8-[(4-chlorophenyl)methyl]-3,21-dithia-7,10,16-triazatricyclo[21.2.2.1^{10,14}]octacosa-1(26),18,23(27),24-tetraene-6,9,15-trione | | Formula: | C30 H36 Cl N3 O3 S2 | | SMILES: | Clc1ccc(C[CH]2NC(=O)CCSCc3ccc(CSCC=CCNC(=O)[CH]4CCC[N](C4)C2=O)cc3)cc1 | | InChi: | InChI=1S/C30H36ClN3O3S2/c31-26-11-9-22(10-12-26)18-27-30(37)34-15-3-4-25(19-34)29(36)32-14-1-2-16-38-20-23-5-7-24(8-6-23)21-39-17-13-28(35)33-27/h1-2,5-12,25,27H,3-4,13-21H2,(H,32,36)(H,33,35)/b2-1+/t25-,27-/m0/s1 | | Definition date: | 2022-08-24 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (8~{S},14~{S},18~{E})-8-[(4-chlorophenyl)methyl]-3,21-dithia-7,10,16-triazatricyclo[21.2.2.1^{10,14}]octacosa-1(26),18,23(27),24-tetraene-6,9,15-trione |
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 | | O0H | | Name: | ~{N}-[6-ethoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide | | Formula: | C23 H25 F3 N6 O3 | | SMILES: | CCOc1cc2nn(CC(=O)N3CCN(C)CC3)cc2cc1NC(=O)c4cccc(n4)C(F)(F)F | | InChi: | InChI=1S/C23H25F3N6O3/c1-3-35-19-12-17-15(13-32(29-17)14-21(33)31-9-7-30(2)8-10-31)11-18(19)28-22(34)16-5-4-6-20(27-16)23(24,25)26/h4-6,11-13H,3,7-10,14H2,1-2H3,(H,28,34) | | Definition date: | 2022-08-25 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | ~{N}-[6-ethoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide |
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 | | V6C | | Name: | 1-(3-methoxyphenyl)-1,2,3,4-tetrazole | | Formula: | C8 H8 N4 O | | SMILES: | COc1cccc(c1)n2cnnn2 | | InChi: | InChI=1S/C8H8N4O/c1-13-8-4-2-3-7(5-8)12-6-9-10-11-12/h2-6H,1H3 | | Definition date: | 2023-07-07 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 1-(3-methoxyphenyl)-1,2,3,4-tetrazole |
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 | | VLF | | Name: | 4-methyl-~{N}-[(2~{S})-4-oxidanyl-3-oxidanylidene-1-phenyl-butan-2-yl]benzenesulfonamide | | Formula: | C17 H19 N O4 S | | SMILES: | Cc1ccc(cc1)[S](=O)(=O)N[CH](Cc2ccccc2)C(=O)CO | | InChi: | InChI=1S/C17H19NO4S/c1-13-7-9-15(10-8-13)23(21,22)18-16(17(20)12-19)11-14-5-3-2-4-6-14/h2-10,16,18-19H,11-12H2,1H3/t16-/m0/s1 | | Definition date: | 2023-03-15 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 4-methyl-~{N}-[(2~{S})-4-oxidanyl-3-oxidanylidene-1-phenyl-butan-2-yl]benzenesulfonamide |
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 | | E7J | | Name: | 4-(4-oxidanylbutoxycarbonyl)benzoic acid | | Formula: | C12 H14 O5 | | SMILES: | OCCCCOC(=O)c1ccc(cc1)C(O)=O | | InChi: | InChI=1S/C12H14O5/c13-7-1-2-8-17-12(16)10-5-3-9(4-6-10)11(14)15/h3-6,13H,1-2,7-8H2,(H,14,15) | | Definition date: | 2023-06-14 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 4-(4-oxidanylbutoxycarbonyl)benzoic acid |
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 | | T4R | | Name: | 5-iodo-1H-pyrazole | | Formula: | C3 H3 I N2 | | SMILES: | Ic1ccn[NH]1 | | InChi: | InChI=1S/C3H3IN2/c4-3-1-2-5-6-3/h1-2H,(H,5,6) | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 5-iodo-1H-pyrazole |
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 | | T63 | | Name: | 2-phenylpyrimidin-5-ol | | Formula: | C10 H8 N2 O | | SMILES: | Oc1cnc(nc1)c1ccccc1 | | InChi: | InChI=1S/C10H8N2O/c13-9-6-11-10(12-7-9)8-4-2-1-3-5-8/h1-7,13H | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 2-phenylpyrimidin-5-ol |
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 | | T6R | | Name: | 1-ethyl-1H-benzimidazole | | Formula: | C9 H10 N2 | | SMILES: | CCn1cnc2ccccc21 | | InChi: | InChI=1S/C9H10N2/c1-2-11-7-10-8-5-3-4-6-9(8)11/h3-7H,2H2,1H3 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 1-ethyl-1H-benzimidazole |
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 | | T7B | | Name: | (1'S)-2',3'-dihydrospiro[imidazolidine-4,1'-indene]-2,5-dione | | Formula: | C11 H10 N2 O2 | | SMILES: | O=C1NC(=O)NC21CCc1ccccc12 | | InChi: | InChI=1S/C11H10N2O2/c14-9-11(13-10(15)12-9)6-5-7-3-1-2-4-8(7)11/h1-4H,5-6H2,(H2,12,13,14,15)/t11-/m0/s1 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (1'S)-2',3'-dihydrospiro[imidazolidine-4,1'-indene]-2,5-dione |
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 | | T7L | | Name: | 2-phenyl-1,3-thiazole-5-carboxylic acid | | Formula: | C10 H7 N O2 S | | SMILES: | O=C(O)c1cnc(s1)c1ccccc1 | | InChi: | InChI=1S/C10H7NO2S/c12-10(13)8-6-11-9(14-8)7-4-2-1-3-5-7/h1-6H,(H,12,13) | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 2-phenyl-1,3-thiazole-5-carboxylic acid |
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 | | T7U | | Name: | N-cyclopropyl-2-hydroxybenzamide | | Formula: | C10 H11 N O2 | | SMILES: | O=C(NC1CC1)c1ccccc1O | | InChi: | InChI=1S/C10H11NO2/c12-9-4-2-1-3-8(9)10(13)11-7-5-6-7/h1-4,7,12H,5-6H2,(H,11,13) | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | N-cyclopropyl-2-hydroxybenzamide |
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 | | T89 | | Name: | [4-(hydroxymethyl)piperidin-1-yl](phenyl)methanone | | Formula: | C13 H17 N O2 | | SMILES: | O=C(c1ccccc1)N1CCC(CO)CC1 | | InChi: | InChI=1S/C13H17NO2/c15-10-11-6-8-14(9-7-11)13(16)12-4-2-1-3-5-12/h1-5,11,15H,6-10H2 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | [4-(hydroxymethyl)piperidin-1-yl](phenyl)methanone |
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 | | T8O | | Name: | 4-[(difluoromethyl)sulfanyl]aniline | | Formula: | C7 H7 F2 N S | | SMILES: | FC(F)Sc1ccc(N)cc1 | | InChi: | InChI=1S/C7H7F2NS/c8-7(9)11-6-3-1-5(10)2-4-6/h1-4,7H,10H2 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 4-[(difluoromethyl)sulfanyl]aniline |
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 | | T9F | | Name: | 4-(4-methoxyphenyl)-1,2,3,6-tetrahydropyridine | | Formula: | C12 H15 N O | | SMILES: | COc1ccc(cc1)C1=CCNCC1 | | InChi: | InChI=1S/C12H15NO/c1-14-12-4-2-10(3-5-12)11-6-8-13-9-7-11/h2-6,13H,7-9H2,1H3 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 4-(4-methoxyphenyl)-1,2,3,6-tetrahydropyridine |
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 | | T9X | | Name: | 5-(propan-2-yl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole | | Formula: | C9 H15 N3 O | | SMILES: | CC(C)c1nc(no1)C1NCCC1 | | InChi: | InChI=1S/C9H15N3O/c1-6(2)9-11-8(12-13-9)7-4-3-5-10-7/h6-7,10H,3-5H2,1-2H3/t7-/m0/s1 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 5-(propan-2-yl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole |
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