 | | SWQ | | Name: | 6-(3-methylsulfanylphenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one | | Formula: | C12 H10 N4 O S2 | | SMILES: | CSc1cccc(SC2=NN3C(=O)NN=C3C=C2)c1 | | InChi: | InChI=1S/C12H10N4OS2/c1-18-8-3-2-4-9(7-8)19-11-6-5-10-13-14-12(17)16(10)15-11/h2-7H,1H3,(H,14,17) | | Definition date: | 2020-12-02 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | 6-(3-methylsulfanylphenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one |
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 | | SWT | | Name: | 6-(4-methylphenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one | | Formula: | C12 H10 N4 O S | | SMILES: | Cc1ccc(SC2=NN3C(=O)NN=C3C=C2)cc1 | | InChi: | InChI=1S/C12H10N4OS/c1-8-2-4-9(5-3-8)18-11-7-6-10-13-14-12(17)16(10)15-11/h2-7H,1H3,(H,14,17) | | Definition date: | 2020-12-02 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | 6-(4-methylphenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one |
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 | | XTA | | Name: | (1-{[2-(3,5-dichlorophenyl)-6-{[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxy}pyridin-4-yl]methyl}piperidin-4-yl)acetic acid | | Formula: | C28 H32 Cl2 N6 O3 | | SMILES: | c2nc(N1CCN(C)CC1)ncc2Oc4cc(CN3CCC(CC(O)=O)CC3)cc(n4)c5cc(cc(c5)Cl)Cl | | InChi: | InChI=1S/C28H32Cl2N6O3/c1-34-6-8-36(9-7-34)28-31-16-24(17-32-28)39-26-11-20(18-35-4-2-19(3-5-35)12-27(37)38)10-25(33-26)21-13-22(29)15-23(30)14-21/h10-11,13-17,19H,2-9,12,18H2,1H3,(H,37,38) | | Definition date: | 2021-01-12 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | (1-{[2-(3,5-dichlorophenyl)-6-{[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxy}pyridin-4-yl]methyl}piperidin-4-yl)acetic acid |
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 | | SXQ | | Name: | 3-(3,4-dichlorophenyl)sulfanyl-1$l^{4},2,7,8-tetrazabicyclo[4.3.0]nona-1(6),2,4,7-tetraen-9-one | | Formula: | C11 H6 Cl2 N4 O S | | SMILES: | Clc1ccc(SC2=NN3C(=O)NN=C3C=C2)cc1Cl | | InChi: | InChI=1S/C11H6Cl2N4OS/c12-7-2-1-6(5-8(7)13)19-10-4-3-9-14-15-11(18)17(9)16-10/h1-5H,(H,15,18) | | Definition date: | 2020-12-03 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | 6-(3,4-dichlorophenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one |
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 | | 5N0 | | Name: | 3-({3-[(3-{[4-({4-[(4-{[4-({(2R)-2-amino-4-[(1-methyl-4-{[1-methyl-4-({1-methyl-4-[(1-methyl-1H-imidazole-2-carbonyl)amino]-1H-imidazole-2-carbonyl}amino)-1H-pyrrole-2-carbonyl]amino}-1H-pyrrole-2-carbonyl)amino]butanoyl}amino)-1-methyl-1H-imidazole-2-carbonyl]amino}-1-methyl-1H-pyrrole-2-carbonyl)amino]-1-methyl-1H-pyrrole-2-carbonyl}amino)-1-methyl-1H-pyrrole-2-carbonyl]amino}propyl)(methyl)amino]propyl}carbamoyl)benzoic acid | | Formula: | C64 H75 N23 O12 | | SMILES: | O=C(O)c1cccc(c1)C(=O)NCCCN(C)CCCNC(=O)c1cc(cn1C)NC(=O)c1cc(cn1C)NC(=O)c1cc(cn1C)NC(=O)c1nc(NC(=O)C(N)CCNC(=O)c2cc(NC(=O)c3cc(NC(=O)c4nc(NC(=O)c5nccn5C)cn4C)cn3C)cn2C)cn1C | | InChi: | InChI=1S/C64H75N23O12/c1-79(20-11-16-67-54(88)36-13-10-14-37(23-36)64(98)99)21-12-17-68-56(90)44-24-38(29-81(44)3)70-58(92)46-26-40(31-83(46)5)72-60(94)48-28-41(32-85(48)7)73-62(96)52-75-49(34-86(52)8)77-55(89)43(65)15-18-69-57(91)45-25-39(30-82(45)4)71-59(93)47-27-42(33-84(47)6)74-63(97)53-76-50(35-87(53)9)78-61(95)51-66-19-22-80(51)2/h10,13-14,19,22-35,43H,11-12,15-18,20-21,65H2,1-9H3,(H,67,88)(H,68,90)(H,69,91)(H,70,92)(H,71,93)(H,72,94)(H,73,96)(H,74,97)(H,77,89)(H,78,95)(H,98,99)/t43-/m1/s1 | | Definition date: | 2021-07-21 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | 3-({3-[(3-{[4-({4-[(4-{[4-({(2R)-2-amino-4-[(1-methyl-4-{[1-methyl-4-({1-methyl-4-[(1-methyl-1H-imidazole-2-carbonyl)amino]-1H-imidazole-2-carbonyl}amino)-1H-pyrrole-2-carbonyl]amino}-1H-pyrrole-2-carbonyl)amino]butanoyl}amino)-1-methyl-1H-imidazole-2-carbonyl]amino}-1-methyl-1H-pyrrole-2-carbonyl)amino]-1-methyl-1H-pyrrole-2-carbonyl}amino)-1-methyl-1H-pyrrole-2-carbonyl]amino}propyl)(methyl)amino]propyl}carbamoyl)benzoic acid |
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 | | T0B | | Name: | [(4~{a}~{R},8~{a}~{S})-4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-2,3,4~{a},5,6,7,8,8~{a}-octahydroquinoxalin-1-yl]-(furan-2-yl)methanone | | Formula: | C23 H27 N5 O4 | | SMILES: | COc1cc2nc(nc(N)c2cc1OC)N3CCN([CH]4CCCC[CH]34)C(=O)c5occc5 | | InChi: | InChI=1S/C23H27N5O4/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26)/t16-,17+/m0/s1 | | Definition date: | 2020-12-08 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | [(4~{a}~{R},8~{a}~{S})-4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-2,3,4~{a},5,6,7,8,8~{a}-octahydroquinoxalin-1-yl]-(furan-2-yl)methanone |
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 | | XXS | | Name: | 4-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(S-methylsulfonimidoyl)cyclopropyl]pyrimidin-2-yl}-1H-indazole | | Formula: | C20 H24 N6 O2 S | | SMILES: | C1(C)COCCN1c5cc(C2(S(C)(=N)=O)CC2)nc(c4cccc3c4cnn3)n5 | | InChi: | InChI=1S/C20H24N6O2S/c1-13-12-28-9-8-26(13)18-10-17(20(6-7-20)29(2,21)27)23-19(24-18)14-4-3-5-16-15(14)11-22-25-16/h3-5,10-11,13,21H,6-9,12H2,1-2H3,(H,22,25)/t13-,29-/m1/s1 | | Definition date: | 2021-01-18 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | 4-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(S-methylsulfonimidoyl)cyclopropyl]pyrimidin-2-yl}-1H-indazole |
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 | | T1W | | Name: | [(2~{S})-2-methylpiperidin-1-yl]-morpholin-4-yl-methanone | | Formula: | C11 H20 N2 O2 | | SMILES: | C[CH]1CCCCN1C(=O)N2CCOCC2 | | InChi: | InChI=1S/C11H20N2O2/c1-10-4-2-3-5-13(10)11(14)12-6-8-15-9-7-12/h10H,2-9H2,1H3/t10-/m0/s1 | | Definition date: | 2020-12-13 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | [(2~{S})-2-methylpiperidin-1-yl]-morpholin-4-yl-methanone |
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 | | T1Z | | Name: | [1-(3,4-dichlorophenyl)-1,2,3-triazol-4-yl]methanol | | Formula: | C9 H7 Cl2 N3 O | | SMILES: | OCc1cn(nn1)c2ccc(Cl)c(Cl)c2 | | InChi: | InChI=1S/C9H7Cl2N3O/c10-8-2-1-7(3-9(8)11)14-4-6(5-15)12-13-14/h1-4,15H,5H2 | | Definition date: | 2020-12-13 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | [1-(3,4-dichlorophenyl)-1,2,3-triazol-4-yl]methanol |
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 | | T2E | | Name: | 5-azanyl-2-(pyridin-3-ylmethylamino)benzoic acid | | Formula: | C13 H13 N3 O2 | | SMILES: | Nc1ccc(NCc2cccnc2)c(c1)C(O)=O | | InChi: | InChI=1S/C13H13N3O2/c14-10-3-4-12(11(6-10)13(17)18)16-8-9-2-1-5-15-7-9/h1-7,16H,8,14H2,(H,17,18) | | Definition date: | 2020-12-13 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | 5-azanyl-2-(pyridin-3-ylmethylamino)benzoic acid |
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 | | T2H | | Name: | 5-(3-ethoxyphenyl)-1,3,4-thiadiazol-2-amine | | Formula: | C10 H11 N3 O S | | SMILES: | CCOc1cccc(c1)c2sc(N)nn2 | | InChi: | InChI=1S/C10H11N3OS/c1-2-14-8-5-3-4-7(6-8)9-12-13-10(11)15-9/h3-6H,2H2,1H3,(H2,11,13) | | Definition date: | 2020-12-13 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | 5-(3-ethoxyphenyl)-1,3,4-thiadiazol-2-amine |
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 | | T2N | | Name: | 3,5-dioxa-7-thia-1-thionia-2$l^{2},4$l^{2},6$l^{3},8$l^{2}-tetraferrabicyclo[4.2.0]octane | | Formula: | Fe4 O2 S2 | | SMILES: | O1[Fe]O[Fe]2S[Fe][S+]2[Fe]1 | | InChi: | InChI=1S/4Fe.2O.2S/q | | Definition date: | 2020-12-14 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | 3,5-dioxa-7-thia-1-thionia-2$l^{2},4$l^{2},6$l^{3},8$l^{2}-tetraferrabicyclo[4.2.0]octane |
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 | | R2J | | Name: | N-methyl-1-(1-methyl-1H-indazol-3-yl)methanamine | | Formula: | C10 H13 N3 | | SMILES: | c2c1n(C)nc(c1ccc2)CNC | | InChi: | InChI=1S/C10H13N3/c1-11-7-9-8-5-3-4-6-10(8)13(2)12-9/h3-6,11H,7H2,1-2H3 | | Definition date: | 2020-01-27 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | N-methyl-1-(1-methyl-1H-indazol-3-yl)methanamine |
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 | | WCD | | Name: | (2R,3R,5R)-3-{[2-({N-[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | | Formula: | C18 H29 N3 O7 S | | SMILES: | C(O)C(C)(C)C(O)C(NCCC(NCCSC1C(N2C(CC2C1)=O)C(O)=O)=O)=O | | InChi: | InChI=1S/C18H29N3O7S/c1-18(2,9-22)15(25)16(26)20-4-3-12(23)19-5-6-29-11-7-10-8-13(24)21(10)14(11)17(27)28/h10-11,14-15,22,25H,3-9H2,1-2H3,(H,19,23)(H,20,26)(H,27,28)/t10-,11+,14-,15-/m0/s1 | | Synonyms: | (2R)-pantetheinylated carbapenam | | Definition date: | 2020-10-12 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | (2R,3R,5R)-3-{[2-({N-[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
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 | | YD7 | | Name: | ~{N}-[(5~{R})-2-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5~{H}-benzo[7]annulen-5-yl]-3-propan-2-yloxy-azetidine-1-carboxamide | | Formula: | C26 H33 N7 O2 | | SMILES: | CC(C)OC1CN(C1)C(=O)N[CH]2CCCCc3cc(ccc23)c4ccnc(Nc5cnn(C)c5)n4 | | InChi: | InChI=1S/C26H33N7O2/c1-17(2)35-21-15-33(16-21)26(34)31-24-7-5-4-6-18-12-19(8-9-22(18)24)23-10-11-27-25(30-23)29-20-13-28-32(3)14-20/h8-14,17,21,24H,4-7,15-16H2,1-3H3,(H,31,34)(H,27,29,30)/t24-/m1/s1 | | Definition date: | 2021-02-22 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | ~{N}-[(5~{R})-2-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5~{H}-benzo[7]annulen-5-yl]-3-propan-2-yloxy-azetidine-1-carboxamide |
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 | | YDA | | Name: | 1-~{tert}-butyl-~{N}-[(5~{R})-8-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-(oxetan-3-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-yl]-1,2,3-triazole-4-carboxamide | | Formula: | C28 H34 N10 O2 | | SMILES: | Cn1cc(Nc2nccc(n2)c3ccc4[CH](CCN(Cc4c3)C5COC5)NC(=O)c6cn(nn6)C(C)(C)C)cn1 | | InChi: | InChI=1S/C28H34N10O2/c1-28(2,3)38-15-25(34-35-38)26(39)32-24-8-10-37(21-16-40-17-21)13-19-11-18(5-6-22(19)24)23-7-9-29-27(33-23)31-20-12-30-36(4)14-20/h5-7,9,11-12,14-15,21,24H,8,10,13,16-17H2,1-4H3,(H,32,39)(H,29,31,33)/t24-/m1/s1 | | Definition date: | 2021-02-22 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | 1-~{tert}-butyl-~{N}-[(5~{R})-8-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-(oxetan-3-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-yl]-1,2,3-triazole-4-carboxamide |
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 | | VX8 | | Name: | Lumacaftor | | Formula: | C24 H18 F2 N2 O5 | | SMILES: | O=C(O)c1cccc(c1)c1nc(ccc1C)NC(=O)C1(CC1)c1ccc2OC(F)(F)Oc2c1 | | InChi: | InChI=1S/C24H18F2N2O5/c1-13-5-8-19(27-20(13)14-3-2-4-15(11-14)21(29)30)28-22(31)23(9-10-23)16-6-7-17-18(12-16)33-24(25,26)32-17/h2-8,11-12H,9-10H2,1H3,(H,29,30)(H,27,28,31) | | Synonyms: | 3-(6-{[1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl]amino}-3-methylpyridin-2-yl)benzoic acid | | Definition date: | 2021-11-20 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | 3-(6-{[1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl]amino}-3-methylpyridin-2-yl)benzoic acid |
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 | | T3T | | Name: | 1-(1,3-benzodioxol-5-yl)-~{N}-(pyridin-2-ylmethyl)methanamine | | Formula: | C14 H14 N2 O2 | | SMILES: | C1Oc2ccc(CNCc3ccccn3)cc2O1 | | InChi: | InChI=1S/C14H14N2O2/c1-2-6-16-12(3-1)9-15-8-11-4-5-13-14(7-11)18-10-17-13/h1-7,15H,8-10H2 | | Definition date: | 2020-12-14 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | 1-(1,3-benzodioxol-5-yl)-~{N}-(pyridin-2-ylmethyl)methanamine |
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 | | T52 | | Name: | N-{6-[3-(4-Aminobutoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-3,4-dimethoxybenzene-1-sulfonamide | | Formula: | C30 H39 N4 O8 S | | SMILES: | CCCOc1cc(OCCCC[NH3+])cc(Oc2cc3N(C)C(=O)N(C)c3cc2N[S](=O)(=O)c4ccc(OC)c(OC)c4)c1 | | InChi: | InChI=1S/C30H38N4O8S/c1-6-12-40-20-14-21(41-13-8-7-11-31)16-22(15-20)42-28-19-26-25(33(2)30(35)34(26)3)18-24(28)32-43(36,37)23-9-10-27(38-4)29(17-23)39-5/h9-10,14-19,32H,6-8,11-13,31H2,1-5H3/p+1 | | Synonyms: | ~{N}-[6-[3-(4-azanylbutoxy)-5-propoxy-phenoxy]-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl]-3,4-dimethoxy-benzenesulfonamide | | Definition date: | 2020-12-15 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | 4-[3-[6-[(3,4-dimethoxyphenyl)sulfonylamino]-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl]oxy-5-propoxy-phenoxy]butylazanium |
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 | | V4Q | | Name: | N-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide | | Formula: | C28 H24 F N7 O2 | | SMILES: | CCOc1ccc(nc1)c2nnc([CH]3C[CH](C3)NC(=O)c4cccc5nccnc45)n2c6ccccc6F | | InChi: | InChI=1S/C28H24FN7O2/c1-2-38-19-10-11-23(32-16-19)27-35-34-26(36(27)24-9-4-3-7-21(24)29)17-14-18(15-17)33-28(37)20-6-5-8-22-25(20)31-13-12-30-22/h3-13,16-18H,2,14-15H2,1H3,(H,33,37)/t17-,18- | | Synonyms: | 146282356 | | Definition date: | 2021-04-12 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | ~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide |
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 | | V5Q | | Name: | ~{N}-[2-[2-[4-[2-(6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinolin-2-yl)ethyl]phenyl]-1,2,3,4-tetrazol-5-yl]-4,5-dimethoxy-phenyl]-4-oxidanylidene-2,3-dihydrochromene-2-carboxamide | | Formula: | C38 H38 N6 O7 | | SMILES: | COc1cc2CCN(CCc3ccc(cc3)n4nnc(n4)c5cc(OC)c(OC)cc5NC(=O)[CH]6CC(=O)c7ccccc7O6)Cc2cc1OC | | InChi: | InChI=1S/C38H38N6O7/c1-47-32-17-24-14-16-43(22-25(24)18-33(32)48-2)15-13-23-9-11-26(12-10-23)44-41-37(40-42-44)28-19-34(49-3)35(50-4)20-29(28)39-38(46)36-21-30(45)27-7-5-6-8-31(27)51-36/h5-12,17-20,36H,13-16,21-22H2,1-4H3,(H,39,46)/t36-/m1/s1 | | Definition date: | 2021-04-19 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | ~{N}-[2-[2-[4-[2-(6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinolin-2-yl)ethyl]phenyl]-1,2,3,4-tetrazol-5-yl]-4,5-dimethoxy-phenyl]-4-oxidanylidene-2,3-dihydrochromene-2-carboxamide |
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 | | T7W | | Name: | (R)-3,3-dimethyl-5-oxo-5-(6-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)pentanoic acid | | Formula: | C20 H22 N6 O4 | | SMILES: | CC(C)(CC(O)=O)CC(=O)N1Cc2nc[nH]c2C[CH]1c3onc(n3)c4ccncc4 | | InChi: | InChI=1S/C20H22N6O4/c1-20(2,9-17(28)29)8-16(27)26-10-14-13(22-11-23-14)7-15(26)19-24-18(25-30-19)12-3-5-21-6-4-12/h3-6,11,15H,7-10H2,1-2H3,(H,22,23)(H,28,29)/t15-/m1/s1 | | Synonyms: | 3,3-dimethyl-5-oxidanylidene-5-[(6~{R})-6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pentanoic acid | | Definition date: | 2020-12-17 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | 3,3-dimethyl-5-oxidanylidene-5-[(6~{R})-6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pentanoic acid |
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 | | T82 | | Name: | (S,E)-3-(2-(3-bromo-4-hydroxybenzylidene)hydrazineyl)-2-(3-chlorophenyl)-3-oxopropan-1-aminium | | Formula: | C16 H15 Br Cl N3 O2 | | SMILES: | NC[CH](C(=O)NN=Cc1ccc(O)c(Br)c1)c2cccc(Cl)c2 | | InChi: | InChI=1S/C16H15BrClN3O2/c17-14-6-10(4-5-15(14)22)9-20-21-16(23)13(8-19)11-2-1-3-12(18)7-11/h1-7,9,13,22H,8,19H2,(H,21,23)/b20-9+/t13-/m1/s1 | | Synonyms: | (2~{S})-3-azanyl-~{N}-[(~{E})-(3-bromanyl-4-oxidanyl-phenyl)methylideneamino]-2-(3-chlorophenyl)propanamide | | Definition date: | 2020-12-17 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | (2~{S})-3-azanyl-~{N}-[(~{E})-(3-bromanyl-4-oxidanyl-phenyl)methylideneamino]-2-(3-chlorophenyl)propanamide |
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 | | U3K | | Name: | ~{N}-methyl-~{N}-[(5-methylfuran-2-yl)methyl]-1-phenyl-methanamine | | Formula: | C14 H17 N O | | SMILES: | CN(Cc1oc(C)cc1)Cc2ccccc2 | | InChi: | InChI=1S/C14H17NO/c1-12-8-9-14(16-12)11-15(2)10-13-6-4-3-5-7-13/h3-9H,10-11H2,1-2H3 | | Definition date: | 2021-01-19 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | ~{N}-methyl-~{N}-[(5-methylfuran-2-yl)methyl]-1-phenyl-methanamine |
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 | | T9W | | Name: | 2-[4-(2,5-Dioxopyrrolidin-1-yl)phenoxy]acetate | | Formula: | C12 H10 N O5 | | SMILES: | [O-]C(=O)COc1ccc(cc1)N2C(=O)CCC2=O | | InChi: | InChI=1S/C12H11NO5/c14-10-5-6-11(15)13(10)8-1-3-9(4-2-8)18-7-12(16)17/h1-4H,5-7H2,(H,16,17)/p-1 | | Synonyms: | 2-[4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]phenoxy]ethanoic acid | | Definition date: | 2020-12-20 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | 2-[4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]phenoxy]ethanoate |
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