 | | VNE | | Name: | (3-methoxyphenyl)-pyrrol-1-yl-methanone | | Formula: | C12 H11 N O2 | | SMILES: | COc1cccc(c1)C(=O)n2cccc2 | | InChi: | InChI=1S/C12H11NO2/c1-15-11-6-4-5-10(9-11)12(14)13-7-2-3-8-13/h2-9H,1H3 | | Definition date: | 2023-03-20 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | (3-methoxyphenyl)-pyrrol-1-yl-methanone |
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 | | VNO | | Name: | 1-(2-ethylsulfonylethyl)-1,3,3-trimethyl-urea | | Formula: | C8 H18 N2 O3 S | | SMILES: | CC[S](=O)(=O)CCN(C)C(=O)N(C)C | | InChi: | InChI=1S/C8H18N2O3S/c1-5-14(12,13)7-6-10(4)8(11)9(2)3/h5-7H2,1-4H3 | | Definition date: | 2023-03-20 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | 1-(2-ethylsulfonylethyl)-1,3,3-trimethyl-urea |
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 | | VNV | | Name: | 3-phenyl-1,2-oxazol-5-amine | | Formula: | C9 H8 N2 O | | SMILES: | Nc1onc(c1)c2ccccc2 | | InChi: | InChI=1S/C9H8N2O/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H,10H2 | | Definition date: | 2023-03-20 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | 3-phenyl-1,2-oxazol-5-amine |
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 | | W6F | | Name: | 2-[(E)-(1,7-dimethylquinolin-4(1H)-ylidene)methyl]-3-{2,16-dioxo-20-[(3aR,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-1,3-benzothiazol-3-ium | | Formula: | C39 H51 N6 O6 S2 | | SMILES: | O=C1NC2C(CCCCC(=O)NCCOCCOCCOCCNC(=O)C[n+]3c4ccccc4sc3/C=C3C=CN(C)c4cc(C)ccc43)SCC2N1 | | InChi: | InChI=1S/C39H50N6O6S2/c1-27-11-12-29-28(13-16-44(2)32(29)23-27)24-37-45(31-7-3-4-8-33(31)53-37)25-36(47)41-15-18-50-20-22-51-21-19-49-17-14-40-35(46)10-6-5-9-34-38-30(26-52-34)42-39(48)43-38/h3-4,7-8,11-13,16,23-24,30,34,38H,5-6,9-10,14-15,17-22,25-26H2,1-2H3,(H3-,40,41,42,43,46,47,48)/p+1/t30-,34-,38?/m0/s1 | | Definition date: | 2023-09-25 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | 2-[(E)-(1,7-dimethylquinolin-4(1H)-ylidene)methyl]-3-{2,16-dioxo-20-[(3aR,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-1,3-benzothiazol-3-ium |
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 | | W8U | | Name: | (4M)-4-{(4S)-3-[(2-chloropyridin-3-yl)methyl][1,2,4]triazolo[4,3-a]pyridin-7-yl}-N-(oxan-4-yl)pyrimidin-2-amine | | Formula: | C21 H20 Cl N7 O | | SMILES: | Clc1ncccc1Cc1nnc2cc(ccn21)c1nc(ncc1)NC1CCOCC1 | | InChi: | InChI=1S/C21H20ClN7O/c22-20-15(2-1-7-23-20)13-19-28-27-18-12-14(4-9-29(18)19)17-3-8-24-21(26-17)25-16-5-10-30-11-6-16/h1-4,7-9,12,16H,5-6,10-11,13H2,(H,24,25,26) | | Definition date: | 2023-09-27 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | (4M)-4-{(4S)-3-[(2-chloropyridin-3-yl)methyl][1,2,4]triazolo[4,3-a]pyridin-7-yl}-N-(oxan-4-yl)pyrimidin-2-amine |
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 | | WAL | | Name: | (4M)-4-{(4R)-3-[(2S)-2-methylbutyl][1,2,4]triazolo[4,3-a]pyridin-7-yl}-N-(1-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine | | Formula: | C19 H22 N8 | | SMILES: | Cn1nccc1Nc1nccc(n1)c1cc2nnc(CC(C)CC)n2cc1 | | InChi: | InChI=1S/C19H22N8/c1-4-13(2)11-17-24-25-18-12-14(7-10-27(17)18)15-5-8-20-19(22-15)23-16-6-9-21-26(16)3/h5-10,12-13H,4,11H2,1-3H3,(H,20,22,23)/t13-/m0/s1 | | Definition date: | 2023-09-28 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | (4M)-4-{(4R)-3-[(2S)-2-methylbutyl][1,2,4]triazolo[4,3-a]pyridin-7-yl}-N-(1-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine |
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 | | WEH | | Name: | L-Homoglutamine | | Formula: | C6 H12 N2 O3 | | SMILES: | N[CH](CCCC(N)=O)C(O)=O | | InChi: | InChI=1S/C6H12N2O3/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H2,8,9)(H,10,11)/t4-/m1/s1 | | Synonyms: | (2~{S})-2,6-bis(azanyl)-6-oxidanylidene-hexanoic acid | | Definition date: | 2023-10-03 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | (2~{S})-2,6-bis(azanyl)-6-oxidanylidene-hexanoic acid |
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 | | WET | | Name: | L-7-Hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid | | Formula: | C10 H11 N O3 | | SMILES: | OC(=O)[CH]1Cc2ccc(O)cc2CN1 | | InChi: | InChI=1S/C10H11NO3/c12-8-2-1-6-4-9(10(13)14)11-5-7(6)3-8/h1-3,9,11-12H,4-5H2,(H,13,14)/t9-/m0/s1 | | Synonyms: | (3~{S})-7-oxidanyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid | | Definition date: | 2023-10-03 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | (3~{S})-7-oxidanyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid |
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 | | WFZ | | Name: | 2-[2-(1-azanylethenyl)-1,3-thiazol-4-yl]-6-(4-methoxycarbonyl-1,3-thiazol-2-yl)pyridine-3-carboxylic acid | | Formula: | C16 H12 N4 O4 S2 | | SMILES: | COC(=O)c1csc(n1)c2ccc(C(O)=O)c(n2)c3csc(n3)C(N)=C | | InChi: | InChI=1S/C16H12N4O4S2/c1-7(17)13-19-10(5-25-13)12-8(15(21)22)3-4-9(18-12)14-20-11(6-26-14)16(23)24-2/h3-6H,1,17H2,2H3,(H,21,22) | | Definition date: | 2023-10-03 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | 2-[2-(1-azanylethenyl)-1,3-thiazol-4-yl]-6-(4-methoxycarbonyl-1,3-thiazol-2-yl)pyridine-3-carboxylic acid |
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 | | WGB | | Name: | (2~{S})-2-(methylamino)-3-[4-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]propanoic acid | | Formula: | C10 H13 N2 O4 | | SMILES: | CN[CH](Cc1ccc(cc1)[N-](O)=O)C(O)=O | | InChi: | InChI=1S/C10H13N2O4/c1-11-9(10(13)14)6-7-2-4-8(5-3-7)12(15)16/h2-5,9,11H,6H2,1H3,(H,13,14)(H,15,16)/q-1/t9-/m0/s1 | | Definition date: | 2023-10-03 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | (2~{S})-2-(methylamino)-3-[4-[oxidanyl(oxidanylidene)azanuidyl]phenyl]propanoic acid |
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 | | WVU | | Name: | (phenylmethyl) 3-oxidanylidenepiperazine-1-carboxylate | | Formula: | C12 H14 N2 O3 | | SMILES: | O=C1CN(CCN1)C(=O)OCc2ccccc2 | | InChi: | InChI=1S/C12H14N2O3/c15-11-8-14(7-6-13-11)12(16)17-9-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,15) | | Definition date: | 2023-10-16 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | (phenylmethyl) 3-oxidanylidenepiperazine-1-carboxylate |
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 | | WVZ | | Name: | (1~{S})-1-phenyl-2,4-dihydro-1~{H}-isoquinolin-3-one | | Formula: | C15 H13 N O | | SMILES: | O=C1Cc2ccccc2[CH](N1)c3ccccc3 | | InChi: | InChI=1S/C15H13NO/c17-14-10-12-8-4-5-9-13(12)15(16-14)11-6-2-1-3-7-11/h1-9,15H,10H2,(H,16,17)/t15-/m0/s1 | | Definition date: | 2023-10-16 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | (1~{S})-1-phenyl-2,4-dihydro-1~{H}-isoquinolin-3-one |
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 | | WWR | | Name: | 3-(phenylmethyl)-1~{H}-imidazol-2-one | | Formula: | C10 H10 N2 O | | SMILES: | O=C1NC=CN1Cc2ccccc2 | | InChi: | InChI=1S/C10H10N2O/c13-10-11-6-7-12(10)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,11,13) | | Definition date: | 2023-10-16 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | 3-(phenylmethyl)-1~{H}-imidazol-2-one |
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 | | WXH | | Name: | (4P)-4-[(2P)-2-(1,2,5,6-tetrahydropyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide | | Formula: | C19 H17 F3 N4 O S | | SMILES: | FC(F)(F)CNC(=O)c1cc(cs1)c1cnc2[NH]c(cc2c1)C1=CCCNC1 | | InChi: | InChI=1S/C19H17F3N4OS/c20-19(21,22)10-25-18(27)16-6-14(9-28-16)13-4-12-5-15(26-17(12)24-8-13)11-2-1-3-23-7-11/h2,4-6,8-9,23H,1,3,7,10H2,(H,24,26)(H,25,27) | | Definition date: | 2023-05-22 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | (4P)-4-[(2P)-2-(1,2,5,6-tetrahydropyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide |
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 | | WZ9 | | Name: | 7-azanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one | | Formula: | C14 H13 N3 O | | SMILES: | Nc1cccc2N(Cc3ccccc3)C(=O)Nc12 | | InChi: | InChI=1S/C14H13N3O/c15-11-7-4-8-12-13(11)16-14(18)17(12)9-10-5-2-1-3-6-10/h1-8H,9,15H2,(H,16,18) | | Definition date: | 2023-10-17 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | 7-azanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one |
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 | | WZL | | Name: | 7-bromanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one | | Formula: | C14 H11 Br N2 O | | SMILES: | Brc1cccc2N(Cc3ccccc3)C(=O)Nc12 | | InChi: | InChI=1S/C14H11BrN2O/c15-11-7-4-8-12-13(11)16-14(18)17(12)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,16,18) | | Definition date: | 2023-10-17 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | 7-bromanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one |
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 | | WZR | | Name: | (4~{R})-7-oxidanyl-4-phenyl-3,4-dihydro-1~{H}-quinolin-2-one | | Formula: | C15 H13 N O2 | | SMILES: | Oc1ccc2[CH](CC(=O)Nc2c1)c3ccccc3 | | InChi: | InChI=1S/C15H13NO2/c17-11-6-7-12-13(10-4-2-1-3-5-10)9-15(18)16-14(12)8-11/h1-8,13,17H,9H2,(H,16,18)/t13-/m1/s1 | | Definition date: | 2023-10-17 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | (4~{R})-7-oxidanyl-4-phenyl-3,4-dihydro-1~{H}-quinolin-2-one |
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 | | WZX | | Name: | ethyl 2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethanoate | | Formula: | C12 H14 N2 O3 | | SMILES: | CCOC(=O)CN1CC(=O)Nc2ccccc12 | | InChi: | InChI=1S/C12H14N2O3/c1-2-17-12(16)8-14-7-11(15)13-9-5-3-4-6-10(9)14/h3-6H,2,7-8H2,1H3,(H,13,15) | | Definition date: | 2023-10-17 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | ethyl 2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethanoate |
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 | | X0H | | Name: | methyl 2-(2-oxidanylidene-1~{H}-quinolin-4-yl)ethanoate | | Formula: | C12 H11 N O3 | | SMILES: | COC(=O)CC1=CC(=O)Nc2ccccc12 | | InChi: | InChI=1S/C12H11NO3/c1-16-12(15)7-8-6-11(14)13-10-5-3-2-4-9(8)10/h2-6H,7H2,1H3,(H,13,14) | | Definition date: | 2023-10-17 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | methyl 2-(2-oxidanylidene-1~{H}-quinolin-4-yl)ethanoate |
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 | | X0L | | Name: | 4-[(4-methylphenyl)methyl]-1~{H}-quinoxaline-2,3-dione | | Formula: | C16 H14 N2 O2 | | SMILES: | Cc1ccc(CN2C(=O)C(=O)Nc3ccccc23)cc1 | | InChi: | InChI=1S/C16H14N2O2/c1-11-6-8-12(9-7-11)10-18-14-5-3-2-4-13(14)17-15(19)16(18)20/h2-9H,10H2,1H3,(H,17,19) | | Definition date: | 2023-10-17 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | 4-[(4-methylphenyl)methyl]-1~{H}-quinoxaline-2,3-dione |
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 | | XFZ | | Name: | Bis-1,3-phenyl guanylhydrazon | | Formula: | C10 H14 N8 | | SMILES: | NC(N)=NN=Cc1cccc(C=NN=C(N)N)c1 | | InChi: | InChI=1S/C10H14N8/c11-9(12)17-15-5-7-2-1-3-8(4-7)6-16-18-10(13)14/h1-6H,(H4,11,12,17)(H4,13,14,18)/b15-5+,16-6+ | | Synonyms: | 2-[(E)-[3-[(E)-[bis(azanyl)methylidenehydrazinylidene]methyl]phenyl]methylideneamino]guanidine | | Definition date: | 2023-11-01 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | 2-[(~{E})-[3-[(~{E})-[bis(azanyl)methylidenehydrazinylidene]methyl]phenyl]methylideneamino]guanidine |
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 | | XVC | | Name: | 6-azido-6-deoxy-alpha-D-glucopyranose | | Formula: | C6 H11 N3 O5 | | SMILES: | OC1C(O)C(CN=[N+]=[N-])OC(O)C1O | | InChi: | InChI=1S/C6H11N3O5/c7-9-8-1-2-3(10)4(11)5(12)6(13)14-2/h2-6,10-13H,1H2/t2-,3-,4+,5-,6+/m1/s1 | | Definition date: | 2023-11-13 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | 6-azido-6-deoxy-alpha-D-glucopyranose |
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 | | XVI | | Name: | 2-[bis(fluoranyl)methoxy]-4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-~{N}-[(1~{R},2~{S})-2-fluoranylcyclopropyl]-6-methoxy-benzamide | | Formula: | C23 H21 F3 N4 O3 | | SMILES: | COc1cc(cc(OC(F)F)c1C(=O)N[CH]2C[CH]2F)c3cnn4cc(ccc34)C(C)(C)C#N | | InChi: | InChI=1S/C23H21F3N4O3/c1-23(2,11-27)13-4-5-17-14(9-28-30(17)10-13)12-6-18(32-3)20(19(7-12)33-22(25)26)21(31)29-16-8-15(16)24/h4-7,9-10,15-16,22H,8H2,1-3H3,(H,29,31)/t15-,16+/m0/s1 | | Definition date: | 2023-11-14 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | 2-[bis(fluoranyl)methoxy]-4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-~{N}-[(1~{R},2~{S})-2-fluoranylcyclopropyl]-6-methoxy-benzamide |
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 | | XW3 | | Name: | 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-fluoranylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one | | Formula: | C24 H22 Cl F N6 O3 | | SMILES: | CNc1ncc2C=C(C(=O)N(C[CH]3OC[CH](N)CO3)c2n1)c4ccc(cc4Cl)c5ncccc5F | | InChi: | InChI=1S/C24H22ClFN6O3/c1-28-24-30-9-14-7-17(16-5-4-13(8-18(16)25)21-19(26)3-2-6-29-21)23(33)32(22(14)31-24)10-20-34-11-15(27)12-35-20/h2-9,15,20H,10-12,27H2,1H3,(H,28,30,31)/t15-,20- | | Definition date: | 2023-11-14 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-fluoranylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one |
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 | | XWA | | Name: | 1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-1-[6-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]urea | | Formula: | C32 H37 N7 O3 | | SMILES: | COc1ccc(N(C(=O)Nc2c(C)cccc2C)c3cc(Nc4ccc(cc4)N5CCN(C)CC5)ncn3)c(OC)c1 | | InChi: | InChI=1S/C32H37N7O3/c1-22-7-6-8-23(2)31(22)36-32(40)39(27-14-13-26(41-4)19-28(27)42-5)30-20-29(33-21-34-30)35-24-9-11-25(12-10-24)38-17-15-37(3)16-18-38/h6-14,19-21H,15-18H2,1-5H3,(H,36,40)(H,33,34,35) | | Definition date: | 2023-11-14 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | 1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-1-[6-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]urea |
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