 | | TQC | | Name: | (3M)-5-cyclobutyl-3-(1-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazole | | Formula: | C10 H12 N4 O | | SMILES: | Cn1ccnc1c1nc(on1)C1CCC1 | | InChi: | InChI=1S/C10H12N4O/c1-14-6-5-11-9(14)8-12-10(15-13-8)7-3-2-4-7/h5-7H,2-4H2,1H3 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (3M)-5-cyclobutyl-3-(1-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazole |
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 | | TT3 | | Name: | 2-(3-fluorophenoxy)-N,N-dimethylacetamide | | Formula: | C10 H12 F N O2 | | SMILES: | CN(C)C(=O)COc1cccc(F)c1 | | InChi: | InChI=1S/C10H12FNO2/c1-12(2)10(13)7-14-9-5-3-4-8(11)6-9/h3-6H,7H2,1-2H3 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 2-(3-fluorophenoxy)-N,N-dimethylacetamide |
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 | | TU6 | | Name: | [4-methyl-6-(piperidin-1-yl)pyrimidin-2-yl]methanol | | Formula: | C11 H17 N3 O | | SMILES: | Cc1cc(nc(CO)n1)N1CCCCC1 | | InChi: | InChI=1S/C11H17N3O/c1-9-7-11(13-10(8-15)12-9)14-5-3-2-4-6-14/h7,15H,2-6,8H2,1H3 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | [4-methyl-6-(piperidin-1-yl)pyrimidin-2-yl]methanol |
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 | | TV9 | | Name: | N-[(1S)-1-(pyridin-3-yl)ethyl]cyclopropanecarboxamide | | Formula: | C11 H14 N2 O | | SMILES: | CC(NC(=O)C1CC1)c1cccnc1 | | InChi: | InChI=1S/C11H14N2O/c1-8(10-3-2-6-12-7-10)13-11(14)9-4-5-9/h2-3,6-9H,4-5H2,1H3,(H,13,14)/t8-/m0/s1 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | N-[(1S)-1-(pyridin-3-yl)ethyl]cyclopropanecarboxamide |
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 | | TVR | | Name: | (6S)-4-(3-fluoropyridin-2-yl)-6-methylpiperazin-2-one | | Formula: | C10 H12 F N3 O | | SMILES: | Fc1cccnc1N1CC(=O)NC(C)C1 | | InChi: | InChI=1S/C10H12FN3O/c1-7-5-14(6-9(15)13-7)10-8(11)3-2-4-12-10/h2-4,7H,5-6H2,1H3,(H,13,15)/t7-/m0/s1 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (6S)-4-(3-fluoropyridin-2-yl)-6-methylpiperazin-2-one |
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 | | TWC | | Name: | 2-ethyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one | | Formula: | C6 H7 F3 N2 O | | SMILES: | FC(F)(F)C=1CC(=O)N(CC)N=1 | | InChi: | InChI=1S/C6H7F3N2O/c1-2-11-5(12)3-4(10-11)6(7,8)9/h2-3H2,1H3 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 2-ethyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one |
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 | | TWR | | Name: | 2-(4-amino-3-fluorophenoxy)-N,N-dimethylacetamide | | Formula: | C10 H13 F N2 O2 | | SMILES: | CN(C)C(=O)COc1ccc(N)c(F)c1 | | InChi: | InChI=1S/C10H13FN2O2/c1-13(2)10(14)6-15-7-3-4-9(12)8(11)5-7/h3-5H,6,12H2,1-2H3 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 2-(4-amino-3-fluorophenoxy)-N,N-dimethylacetamide |
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 | | TX0 | | Name: | thiophene-3-carboxylic acid | | Formula: | C5 H4 O2 S | | SMILES: | O=C(O)c1ccsc1 | | InChi: | InChI=1S/C5H4O2S/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7) | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | thiophene-3-carboxylic acid |
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 | | 43I | | Name: | 3-azanyl-6-chloranyl-5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethyl-piperazin-1-yl]pyrazine-2-carboxamide | | Formula: | C23 H31 Cl2 N7 O | | SMILES: | CC[CH]1CN(CCN1C2CCN(CC2)Cc3ccc(Cl)cc3)c4nc(N)c(nc4Cl)C(N)=O | | InChi: | InChI=1S/C23H31Cl2N7O/c1-2-17-14-31(23-20(25)28-19(22(27)33)21(26)29-23)11-12-32(17)18-7-9-30(10-8-18)13-15-3-5-16(24)6-4-15/h3-6,17-18H,2,7-14H2,1H3,(H2,26,29)(H2,27,33)/t17-/m0/s1 | | Definition date: | 2023-01-04 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 3-azanyl-6-chloranyl-5-[(3~{S})-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethyl-piperazin-1-yl]pyrazine-2-carboxamide |
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 | | 4AI | | Name: | (3S)-N-[(2S)-5-carbamimidamido-1-(cyclohexylmethylamino)-1-oxidanylidene-pentan-2-yl]-2-(4-oxidanylidene-4-phenyl-butanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide | | Formula: | | | SMILES: | NC(=N)NCCC[CH](NC(=O)[CH]1Cc2ccccc2CN1C(=O)CCC(=O)c3ccccc3)C(=O)NCC4CCCCC4 | | InChi: | InChI=1S/C33H44N6O4/c34-33(35)36-19-9-16-27(31(42)37-21-23-10-3-1-4-11-23)38-32(43)28-20-25-14-7-8-15-26(25)22-39(28)30(41)18-17-29(40)24-12-5-2-6-13-24/h2,5-8,12-15,23,27-28H,1,3-4,9-11,16-22H2,(H,37,42)(H,38,43)(H4,34,35,36)/t27-,28-/m0/s1 | | Synonyms: | PS372424 | | Definition date: | 2023-01-05 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (3~{S})-~{N}-[(2~{S})-5-carbamimidamido-1-(cyclohexylmethylamino)-1-oxidanylidene-pentan-2-yl]-2-(4-oxidanylidene-4-phenyl-butanoyl)-3,4-dihydro-1~{H}-isoquinoline-3-carboxamide |
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 | | TZ9 | | Name: | 6,8-bis(fluoranyl)chromene | | Formula: | C9 H6 F2 O | | SMILES: | Fc1cc(F)c2OCC=Cc2c1 | | InChi: | InChI=1S/C9H6F2O/c10-7-4-6-2-1-3-12-9(6)8(11)5-7/h1-2,4-5H,3H2 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 6,8-difluoro-2H-1-benzopyran |
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 | | TZR | | Name: | 1-[(3R,4R)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]ethan-1-one | | Formula: | C13 H17 N O2 | | SMILES: | OCC1CN(CC1c1ccccc1)C(=O)C | | InChi: | InChI=1S/C13H17NO2/c1-10(16)14-7-12(9-15)13(8-14)11-5-3-2-4-6-11/h2-6,12-13,15H,7-9H2,1H3/t12-,13+/m1/s1 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 1-[(3R,4R)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]ethan-1-one |
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 | | U0O | | Name: | 5-iodo-1H-imidazole | | Formula: | C3 H3 I N2 | | SMILES: | Ic1cnc[NH]1 | | InChi: | InChI=1S/C3H3IN2/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-iodo-1H-imidazole |
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 | | U1I | | Name: | methyl (3R)-3-(4-methylphenyl)pyrrolidine-3-carboxylate | | Formula: | C13 H17 N O2 | | SMILES: | COC(=O)C1(CCNC1)c1ccc(C)cc1 | | InChi: | InChI=1S/C13H17NO2/c1-10-3-5-11(6-4-10)13(12(15)16-2)7-8-14-9-13/h3-6,14H,7-9H2,1-2H3/t13-/m0/s1 | | Definition date: | 2023-08-29 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | methyl (3R)-3-(4-methylphenyl)pyrrolidine-3-carboxylate |
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 | | U1X | | Name: | N-phenylpyrrolidine-1-carboxamide | | Formula: | C11 H14 N2 O | | SMILES: | O=C(Nc1ccccc1)N1CCCC1 | | InChi: | InChI=1S/C11H14N2O/c14-11(13-8-4-5-9-13)12-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,14) | | Definition date: | 2023-08-29 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | N-phenylpyrrolidine-1-carboxamide |
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 | | U29 | | Name: | methyl (5S)-1-acetyl-5-methyl-L-prolinate | | Formula: | C9 H15 N O3 | | SMILES: | CC1CCC(C(=O)OC)N1C(=O)C | | InChi: | InChI=1S/C9H15NO3/c1-6-4-5-8(9(12)13-3)10(6)7(2)11/h6,8H,4-5H2,1-3H3/t6-,8-/m0/s1 | | Definition date: | 2023-08-29 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | methyl (5S)-1-acetyl-5-methyl-L-prolinate |
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 | | U2R | | Name: | (4-fluorophenoxy)acetic acid | | Formula: | C8 H7 F O3 | | SMILES: | O=C(O)COc1ccc(F)cc1 | | InChi: | InChI=1S/C8H7FO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11) | | Definition date: | 2023-08-29 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (4-fluorophenoxy)acetic acid |
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 | | U3C | | Name: | N-(6-methylpyridin-2-yl)-D-prolinamide | | Formula: | C11 H15 N3 O | | SMILES: | O=C(Nc1cccc(C)n1)C1CCCN1 | | InChi: | InChI=1S/C11H15N3O/c1-8-4-2-6-10(13-8)14-11(15)9-5-3-7-12-9/h2,4,6,9,12H,3,5,7H2,1H3,(H,13,14,15)/t9-/m1/s1 | | Definition date: | 2023-08-29 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | N-(6-methylpyridin-2-yl)-D-prolinamide |
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 | | U3R | | Name: | (3R,4S)-1-acetyl-4-phenylpyrrolidine-3-carboxylic acid | | Formula: | C13 H15 N O3 | | SMILES: | OC(=O)C1CN(CC1c1ccccc1)C(=O)C | | InChi: | InChI=1S/C13H15NO3/c1-9(15)14-7-11(12(8-14)13(16)17)10-5-3-2-4-6-10/h2-6,11-12H,7-8H2,1H3,(H,16,17)/t11-,12+/m1/s1 | | Definition date: | 2023-08-29 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (3R,4S)-1-acetyl-4-phenylpyrrolidine-3-carboxylic acid |
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 | | U4C | | Name: | (2S)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one | | Formula: | C12 H14 N2 O | | SMILES: | O=C1Nc2ccccc2CC21CCCN2 | | InChi: | InChI=1S/C12H14N2O/c15-11-12(6-3-7-13-12)8-9-4-1-2-5-10(9)14-11/h1-2,4-5,13H,3,6-8H2,(H,14,15)/t12-/m0/s1 | | Definition date: | 2023-08-29 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (2S)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one |
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 | | U4Z | | Name: | gamma-Carotene | | Formula: | C40 H56 | | SMILES: | CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C | | InChi: | InChI=1S/C40H56/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,18-20,22-27,29-30H,13,17,21,28,31H2,1-10H3/b12-11+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+ | | Synonyms: | 2-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E},19~{E})-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,3-trimethyl-cyclohexene | | Definition date: | 2023-05-15 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-22 | | Identifier: | 2-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E},19~{E})-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,3-trimethyl-cyclohexene |
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 | | U9R | | Name: | (2S,3R)-3-methyl-N-(1,2,3-thiadiazol-5-yl)oxolane-2-carboxamide (non-preferred name) | | Formula: | C8 H11 N3 O2 S | | SMILES: | O=C(Nc1cnns1)C1OCCC1C | | InChi: | InChI=1S/C8H11N3O2S/c1-5-2-3-13-7(5)8(12)10-6-4-9-11-14-6/h4-5,7H,2-3H2,1H3,(H,10,12)/t5-,7+/m1/s1 | | Definition date: | 2023-08-31 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (2S,3R)-3-methyl-N-(1,2,3-thiadiazol-5-yl)oxolane-2-carboxamide (non-preferred name) |
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 | | SQT | | Name: | 6-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide | | Formula: | C16 H19 N5 | | SMILES: | N=C(N)c1cnc(cc1)N1CCN(CC1)c1ccccc1 | | InChi: | InChI=1S/C16H19N5/c17-16(18)13-6-7-15(19-12-13)21-10-8-20(9-11-21)14-4-2-1-3-5-14/h1-7,12H,8-11H2,(H3,17,18) | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 6-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide |
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 | | ST0 | | Name: | N-cyclopentyloxane-4-sulfonamide | | Formula: | C10 H19 N O3 S | | SMILES: | O=S(=O)(NC1CCCC1)C1CCOCC1 | | InChi: | InChI=1S/C10H19NO3S/c12-15(13,10-5-7-14-8-6-10)11-9-3-1-2-4-9/h9-11H,1-8H2 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | N-cyclopentyloxane-4-sulfonamide |
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 | | SVI | | Name: | (4S)-[1,2,4]triazolo[4,3-a]pyrazine | | Formula: | C5 H4 N4 | | SMILES: | c1cncc2nncn12 | | InChi: | InChI=1S/C5H4N4/c1-2-9-4-7-8-5(9)3-6-1/h1-4H | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (4S)-[1,2,4]triazolo[4,3-a]pyrazine |
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