 | | U5N | | Name: | (2~{R})-2-methyl-2~{H}-furan-5-one | | Formula: | C5 H6 O2 | | SMILES: | C[CH]1OC(=O)C=C1 | | InChi: | InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3/t4-/m1/s1 | | Definition date: | 2021-01-22 | | Last modified: | 2022-07-08 | | Release date: | 2022-07-13 | | Identifier: | (2~{R})-2-methyl-2~{H}-furan-5-one |
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 | | U6W | | Name: | 5-methyl-3~{H}-furan-2-one | | Formula: | C5 H6 O2 | | SMILES: | CC1=CCC(=O)O1 | | InChi: | InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2H,3H2,1H3 | | Synonyms: | alpha-angelica lactone | | Definition date: | 2021-01-25 | | Last modified: | 2022-07-08 | | Release date: | 2022-07-13 | | Identifier: | 5-methyl-3~{H}-furan-2-one |
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 | | WVG | | Name: | 3-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]propanoic acid | | Formula: | C14 H18 N4 O2 | | SMILES: | c21c(ncc1)ncnc2N3CCCC(CCC(O)=O)C3 | | InChi: | InChI=1S/C14H18N4O2/c19-12(20)4-3-10-2-1-7-18(8-10)14-11-5-6-15-13(11)16-9-17-14/h5-6,9-10H,1-4,7-8H2,(H,19,20)(H,15,16,17)/t10-/m1/s1 | | Definition date: | 2020-11-17 | | Last modified: | 2022-07-08 | | Release date: | 2022-07-13 | | Identifier: | 3-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]propanoic acid |
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 | | WVM | | Name: | (8S)-8-fluoro-6-(6-{[(2R)-2-hydroxypropyl]amino}pyrimidin-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid | | Formula: | C15 H21 F N4 O3 | | SMILES: | c3nc(NCC(C)O)cc(N2CC1(CCC1)C(C2)(C(O)=O)F)n3 | | InChi: | InChI=1S/C15H21FN4O3/c1-10(21)6-17-11-5-12(19-9-18-11)20-7-14(3-2-4-14)15(16,8-20)13(22)23/h5,9-10,21H,2-4,6-8H2,1H3,(H,22,23)(H,17,18,19)/t10-,15+/m1/s1 | | Definition date: | 2020-11-17 | | Last modified: | 2022-07-08 | | Release date: | 2022-07-13 | | Identifier: | (8S)-8-fluoro-6-(6-{[(2R)-2-hydroxypropyl]amino}pyrimidin-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid |
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 | | WVY | | Name: | [(3S)-2-oxopiperidin-3-yl]methyl [4-(1H-pyrazol-1-yl)phenyl]acetate | | Formula: | C17 H19 N3 O3 | | SMILES: | c3nn(c2ccc(CC(OCC1C(NCCC1)=O)=O)cc2)cc3 | | InChi: | InChI=1S/C17H19N3O3/c21-16(23-12-14-3-1-8-18-17(14)22)11-13-4-6-15(7-5-13)20-10-2-9-19-20/h2,4-7,9-10,14H,1,3,8,11-12H2,(H,18,22)/t14-/m0/s1 | | Definition date: | 2020-11-17 | | Last modified: | 2022-07-08 | | Release date: | 2022-07-13 | | Identifier: | [(3S)-2-oxopiperidin-3-yl]methyl [4-(1H-pyrazol-1-yl)phenyl]acetate |
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 | | WW1 | | Name: | 3-{[(2R)-2-phenylpropyl]sulfanyl}-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazole | | Formula: | C12 H13 N5 S | | SMILES: | c3nc1n(c(nn1)SCC(c2ccccc2)C)n3 | | InChi: | InChI=1S/C12H13N5S/c1-9(10-5-3-2-4-6-10)7-18-12-16-15-11-13-8-14-17(11)12/h2-6,8-9H,7H2,1H3,(H,13,14,15)/t9-/m0/s1 | | Definition date: | 2020-11-17 | | Last modified: | 2022-07-08 | | Release date: | 2022-07-13 | | Identifier: | 3-{[(2R)-2-phenylpropyl]sulfanyl}-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazole |
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 | | WW4 | | Name: | 4-{(3R)-3-[(1,3-thiazol-2-yl)methyl]pyrrolidin-1-yl}-7H-pyrrolo[2,3-d]pyrimidine | | Formula: | C14 H15 N5 S | | SMILES: | n1ccc2c1ncnc2N4CCC(Cc3nccs3)C4 | | InChi: | InChI=1S/C14H15N5S/c1-3-16-13-11(1)14(18-9-17-13)19-5-2-10(8-19)7-12-15-4-6-20-12/h1,3-4,6,9-10H,2,5,7-8H2,(H,16,17,18)/t10-/m1/s1 | | Definition date: | 2020-11-17 | | Last modified: | 2022-07-08 | | Release date: | 2022-07-13 | | Identifier: | 4-{(3R)-3-[(1,3-thiazol-2-yl)methyl]pyrrolidin-1-yl}-7H-pyrrolo[2,3-d]pyrimidine |
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 | | WWJ | | Name: | 5-ethyl-4-{(3R)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl}-7H-pyrrolo[2,3-d]pyrimidine | | Formula: | C17 H22 N6 O | | SMILES: | c1(ncnc2c1c(CC)cn2)N3CCCC(C3)Cc4nc(C)no4 | | InChi: | InChI=1S/C17H22N6O/c1-3-13-8-18-16-15(13)17(20-10-19-16)23-6-4-5-12(9-23)7-14-21-11(2)22-24-14/h8,10,12H,3-7,9H2,1-2H3,(H,18,19,20)/t12-/m1/s1 | | Definition date: | 2020-11-17 | | Last modified: | 2022-07-08 | | Release date: | 2022-07-13 | | Identifier: | 5-ethyl-4-{(3R)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl}-7H-pyrrolo[2,3-d]pyrimidine |
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 | | WWP | | Name: | 3-{[3-(trifluoromethyl)phenyl]methyl}-3H-purin-6-amine | | Formula: | C13 H10 F3 N5 | | SMILES: | c1(cc(C(F)(F)F)ccc1)CN3C=NC(=C2N=CN=C23)N | | InChi: | InChI=1S/C13H10F3N5/c14-13(15,16)9-3-1-2-8(4-9)5-21-7-20-11(17)10-12(21)19-6-18-10/h1-4,6-7H,5,17H2 | | Definition date: | 2020-11-17 | | Last modified: | 2022-07-08 | | Release date: | 2022-07-13 | | Identifier: | 3-{[3-(trifluoromethyl)phenyl]methyl}-3H-purin-6-amine |
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 | | WWS | | Name: | 3-[(5-chloropyridin-2-yl)methyl]-3H-purin-6-amine | | Formula: | C11 H9 Cl N6 | | SMILES: | c1(ncc(cc1)Cl)CN3C=NC(=C2N=CN=C23)N | | InChi: | InChI=1S/C11H9ClN6/c12-7-1-2-8(14-3-7)4-18-6-17-10(13)9-11(18)16-5-15-9/h1-3,5-6H,4,13H2 | | Definition date: | 2020-11-17 | | Last modified: | 2022-07-08 | | Release date: | 2022-07-13 | | Identifier: | 3-[(5-chloropyridin-2-yl)methyl]-3H-purin-6-amine |
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 | | WX4 | | Name: | {1-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1H-1,2,3-triazol-4-yl}methanol | | Formula: | C14 H17 N7 O | | SMILES: | C3CN(c2c1ccnc1ncn2)CC(C3)n4cc(CO)nn4 | | InChi: | InChI=1S/C14H17N7O/c22-8-10-6-21(19-18-10)11-2-1-5-20(7-11)14-12-3-4-15-13(12)16-9-17-14/h3-4,6,9,11,22H,1-2,5,7-8H2,(H,15,16,17)/t11-/m1/s1 | | Definition date: | 2020-11-17 | | Last modified: | 2022-07-08 | | Release date: | 2022-07-13 | | Identifier: | {1-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1H-1,2,3-triazol-4-yl}methanol |
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 | | WX7 | | Name: | 5-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1,3,4-oxadiazol-2(3H)-one | | Formula: | C13 H14 N6 O2 | | SMILES: | C4N(c2c1c(ncc1)ncn2)CC(C3=NNC(O3)=O)CC4 | | InChi: | InChI=1S/C13H14N6O2/c20-13-18-17-12(21-13)8-2-1-5-19(6-8)11-9-3-4-14-10(9)15-7-16-11/h3-4,7-8H,1-2,5-6H2,(H,18,20)(H,14,15,16)/t8-/m1/s1 | | Definition date: | 2020-11-17 | | Last modified: | 2022-07-08 | | Release date: | 2022-07-13 | | Identifier: | 5-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1,3,4-oxadiazol-2(3H)-one |
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 | | WXA | | Name: | 5-ethyl-4-[(3R)-3-(methylsulfonyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine | | Formula: | C14 H20 N4 O2 S | | SMILES: | C1CCC(CN1c3c2c(CC)cnc2ncn3)S(C)(=O)=O | | InChi: | InChI=1S/C14H20N4O2S/c1-3-10-7-15-13-12(10)14(17-9-16-13)18-6-4-5-11(8-18)21(2,19)20/h7,9,11H,3-6,8H2,1-2H3,(H,15,16,17)/t11-/m1/s1 | | Definition date: | 2020-11-17 | | Last modified: | 2022-07-08 | | Release date: | 2022-07-13 | | Identifier: | 5-ethyl-4-[(3R)-3-(methylsulfonyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine |
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 | | WXD | | Name: | 5-ethyl-4-[(3S)-3-(methylsulfonyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine | | Formula: | C14 H20 N4 O2 S | | SMILES: | c3(N1CCCC(C1)S(C)(=O)=O)c2c(CC)cnc2ncn3 | | InChi: | InChI=1S/C14H20N4O2S/c1-3-10-7-15-13-12(10)14(17-9-16-13)18-6-4-5-11(8-18)21(2,19)20/h7,9,11H,3-6,8H2,1-2H3,(H,15,16,17)/t11-/m0/s1 | | Definition date: | 2020-11-17 | | Last modified: | 2022-07-08 | | Release date: | 2022-07-13 | | Identifier: | 5-ethyl-4-[(3S)-3-(methylsulfonyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine |
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 | | WXG | | Name: | 1-{2-[(9H-purin-6-yl)sulfanyl]ethyl}pyrrolidin-2-one | | Formula: | C11 H13 N5 O S | | SMILES: | c1(ncnc2ncnc12)SCCN3C(=O)CCC3 | | InChi: | InChI=1S/C11H13N5OS/c17-8-2-1-3-16(8)4-5-18-11-9-10(13-6-12-9)14-7-15-11/h6-7H,1-5H2,(H,12,13,14,15) | | Definition date: | 2020-11-17 | | Last modified: | 2022-07-08 | | Release date: | 2022-07-13 | | Identifier: | 1-{2-[(9H-purin-6-yl)sulfanyl]ethyl}pyrrolidin-2-one |
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 | | WXJ | | Name: | 4-[2-(6-amino-3H-purin-3-yl)ethoxy]benzonitrile | | Formula: | C14 H12 N6 O | | SMILES: | c3c(OCCN1C=2C(=C(N)N=C1)N=CN=2)ccc(c3)C#N | | InChi: | InChI=1S/C14H12N6O/c15-7-10-1-3-11(4-2-10)21-6-5-20-9-19-13(16)12-14(20)18-8-17-12/h1-4,8-9H,5-6,16H2 | | Definition date: | 2020-11-17 | | Last modified: | 2022-07-08 | | Release date: | 2022-07-13 | | Identifier: | 4-[2-(6-amino-3H-purin-3-yl)ethoxy]benzonitrile |
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 | | WXS | | Name: | 4-methyl-5-{[(9H-purin-6-yl)sulfanyl]methyl}-2H-1,3-dioxol-2-one | | Formula: | C10 H8 N4 O3 S | | SMILES: | c2(c1c(ncn1)ncn2)SCC3=C(C)OC(=O)O3 | | InChi: | InChI=1S/C10H8N4O3S/c1-5-6(17-10(15)16-5)2-18-9-7-8(12-3-11-7)13-4-14-9/h3-4H,2H2,1H3,(H,11,12,13,14) | | Definition date: | 2020-11-17 | | Last modified: | 2022-07-08 | | Release date: | 2022-07-13 | | Identifier: | 4-methyl-5-{[(9H-purin-6-yl)sulfanyl]methyl}-2H-1,3-dioxol-2-one |
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 | | WXY | | Name: | (1-azaspiro[4.5]decan-1-yl)(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone | | Formula: | C16 H20 N4 O | | SMILES: | C4CCC3(CCCN3C(c2c1c(ncc1)ncn2)=O)CC4 | | InChi: | InChI=1S/C16H20N4O/c21-15(13-12-5-9-17-14(12)19-11-18-13)20-10-4-8-16(20)6-2-1-3-7-16/h5,9,11H,1-4,6-8,10H2,(H,17,18,19) | | Definition date: | 2020-11-17 | | Last modified: | 2022-07-08 | | Release date: | 2022-07-13 | | Identifier: | (1-azaspiro[4.5]decan-1-yl)(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone |
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 | | WY7 | | Name: | 3-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl}-3H-purin-6-amine | | Formula: | C13 H10 N6 O2 | | SMILES: | c4(CN2C=NC(=C1N=CN=C12)N)cc(c3ccco3)on4 | | InChi: | InChI=1S/C13H10N6O2/c14-12-11-13(16-6-15-11)19(7-17-12)5-8-4-10(21-18-8)9-2-1-3-20-9/h1-4,6-7H,5,14H2 | | Definition date: | 2020-11-17 | | Last modified: | 2022-07-08 | | Release date: | 2022-07-13 | | Identifier: | 3-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl}-3H-purin-6-amine |
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 | | WYA | | Name: | 3-{[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]methyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one | | Formula: | C14 H12 N8 O | | SMILES: | c3c(N(C)Cc1n2c(nn1)C(=O)NC=C2)nc4c(c3)nccn4 | | InChi: | InChI=1S/C14H12N8O/c1-21(10-3-2-9-12(18-10)16-5-4-15-9)8-11-19-20-13-14(23)17-6-7-22(11)13/h2-7H,8H2,1H3,(H,17,23) | | Definition date: | 2020-11-17 | | Last modified: | 2022-07-08 | | Release date: | 2022-07-13 | | Identifier: | 3-{[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]methyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
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 | | WYG | | Name: | [(2R)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]acetic acid | | Formula: | C12 H14 N4 O3 | | SMILES: | c3cc2c(N1CC(CC(=O)O)OCC1)ncnc2n3 | | InChi: | InChI=1S/C12H14N4O3/c17-10(18)5-8-6-16(3-4-19-8)12-9-1-2-13-11(9)14-7-15-12/h1-2,7-8H,3-6H2,(H,17,18)(H,13,14,15)/t8-/m1/s1 | | Definition date: | 2020-11-17 | | Last modified: | 2022-07-08 | | Release date: | 2022-07-13 | | Identifier: | [(2R)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]acetic acid |
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 | | WYJ | | Name: | [(2S,6R)-6-methyl-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methanol | | Formula: | C16 H18 N4 O2 | | SMILES: | c4cc2c(c1c(ncnc1n2)N3CC(C)OC(CO)C3)cc4 | | InChi: | InChI=1S/C16H18N4O2/c1-10-6-20(7-11(8-21)22-10)16-14-12-4-2-3-5-13(12)19-15(14)17-9-18-16/h2-5,9-11,21H,6-8H2,1H3,(H,17,18,19)/t10-,11+/m1/s1 | | Definition date: | 2020-11-17 | | Last modified: | 2022-07-08 | | Release date: | 2022-07-13 | | Identifier: | [(2S,6R)-6-methyl-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methanol |
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 | | WYY | | Name: | 3-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]propanoic acid | | Formula: | C14 H18 N4 O2 | | SMILES: | c13c(ncnc1N2CCCC(CCC(O)=O)C2)ncc3 | | InChi: | InChI=1S/C14H18N4O2/c19-12(20)4-3-10-2-1-7-18(8-10)14-11-5-6-15-13(11)16-9-17-14/h5-6,9-10H,1-4,7-8H2,(H,19,20)(H,15,16,17)/t10-/m0/s1 | | Definition date: | 2020-11-18 | | Last modified: | 2022-07-08 | | Release date: | 2022-07-13 | | Identifier: | 3-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]propanoic acid |
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 | | KKU | | Name: | 4-methyl-6-[3-(methylamino)propyl]pyridin-2-amine | | Formula: | C10 H17 N3 | | SMILES: | Cc1cc(CCCNC)nc(N)c1 | | InChi: | InChI=1S/C10H17N3/c1-8-6-9(4-3-5-12-2)13-10(11)7-8/h6-7,12H,3-5H2,1-2H3,(H2,11,13) | | Definition date: | 2022-02-04 | | Last modified: | 2022-07-08 | | Release date: | 2022-07-13 | | Identifier: | 4-methyl-6-[3-(methylamino)propyl]pyridin-2-amine |
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 | | KL0 | | Name: | 6-[3-(dimethylamino)propyl]-4-methylpyridin-2-amine | | Formula: | C11 H19 N3 | | SMILES: | Cc1cc(CCCN(C)C)nc(N)c1 | | InChi: | InChI=1S/C11H19N3/c1-9-7-10(13-11(12)8-9)5-4-6-14(2)3/h7-8H,4-6H2,1-3H3,(H2,12,13) | | Definition date: | 2022-02-04 | | Last modified: | 2022-07-08 | | Release date: | 2022-07-13 | | Identifier: | 6-[3-(dimethylamino)propyl]-4-methylpyridin-2-amine |
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