| N1A | Name: | 5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine | Formula: | C23 H29 F N8 | SMILES: | C5Cn1c(c(cn1)c2c(F)cnc(n2)Nc3ccc(cn3)N4CCN(CC4)C)C(C)CC5 | InChi: | InChI=1S/C23H29FN8/c1-16-5-3-4-8-32-22(16)18(14-27-32)21-19(24)15-26-23(29-21)28-20-7-6-17(13-25-20)31-11-9-30(2)10-12-31/h6-7,13-16H,3-5,8-12H2,1-2H3,(H,25,26,28,29)/t16-/m1/s1 | Definition date: | 2019-04-29 | Last modified: | 2020-07-24 | Release date: | 2020-07-29 | Identifier: | 5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine |
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| N1J | Name: | N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pyridin-2-yl]-5-fluoro-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine | Formula: | C25 H31 F N8 | SMILES: | C6C1(CN(C1)c5ccc(Nc4ncc(F)c(c3c2n(CCCCC2C)nc3)n4)nc5)CN6CC | InChi: | InChI=1S/C25H31FN8/c1-3-32-13-25(14-32)15-33(16-25)18-7-8-21(27-10-18)30-24-28-12-20(26)22(31-24)19-11-29-34-9-5-4-6-17(2)23(19)34/h7-8,10-12,17H,3-6,9,13-16H2,1-2H3,(H,27,28,30,31)/t17-/m1/s1 | Definition date: | 2019-04-29 | Last modified: | 2020-07-24 | Release date: | 2020-07-29 | Identifier: | N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pyridin-2-yl]-5-fluoro-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine |
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| QB8 | Name: | ~{N}-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]ethanamide | Formula: | C20 H17 N7 O | SMILES: | CC(=O)Nc1ccc2ccn(c3cc(NC4CC4)n5ncc(C#N)c5n3)c2c1 | InChi: | InChI=1S/C20H17N7O/c1-12(28)23-16-3-2-13-6-7-26(17(13)8-16)18-9-19(24-15-4-5-15)27-20(25-18)14(10-21)11-22-27/h2-3,6-9,11,15,24H,4-5H2,1H3,(H,23,28) | Definition date: | 2020-06-02 | Last modified: | 2020-07-24 | Release date: | 2020-07-29 | Identifier: | ~{N}-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]ethanamide |
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| QBE | Name: | ~{N}-[5-[[3-cyano-7-(cyclopropylamino)-3~{H}-pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]propanamide | Formula: | C20 H21 N7 O | SMILES: | CCC(=O)Nc1cc(Nc2cc(NC3CC3)n4ncc(C#N)c4n2)ccc1C | InChi: | InChI=1S/C20H21N7O/c1-3-19(28)25-16-8-15(5-4-12(16)2)23-17-9-18(24-14-6-7-14)27-20(26-17)13(10-21)11-22-27/h4-5,8-9,11,14,24H,3,6-7H2,1-2H3,(H,23,26)(H,25,28) | Definition date: | 2020-06-02 | Last modified: | 2020-07-24 | Release date: | 2020-07-29 | Identifier: | ~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]propanamide |
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| GYV | Name: | 2-acetamido-1-O-carbamoyl-2-deoxy-alpha-D-glucopyranose | Formula: | C9 H16 N2 O7 | SMILES: | O=C(OC1OC(C(O)C(O)C1NC(=O)C)CO)N | InChi: | InChI=1S/C9H16N2O7/c1-3(13)11-5-7(15)6(14)4(2-12)17-8(5)18-9(10)16/h4-8,12,14-15H,2H2,1H3,(H2,10,16)(H,11,13)/t4-,5-,6-,7-,8-/m1/s1 | Synonyms: | 2-(ACETYLAMINO)-1-O-CARBAMOYL-2-DEOXY-ALPHA-D-GLUCOPYRANOSE | Definition date: | 2010-01-26 | Last modified: | 2020-07-18 | Identifier: | 2-(acetylamino)-1-O-carbamoyl-2-deoxy-alpha-D-glucopyranose |
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| YYM | Name: | alpha-D-ribopyranose | Formula: | C5 H10 O5 | SMILES: | OC1C(O)COC(O)C1O | InChi: | InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4-,5+/m1/s1 | Synonyms: | alpha-D-ribose | Definition date: | 2012-12-17 | Last modified: | 2020-07-17 | Release date: | 2020-07-29 | Identifier: | alpha-D-ribopyranose |
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| Z0F | Name: | alpha-L-idopyranose | Formula: | C6 H12 O6 | SMILES: | OC1C(O)C(OC(O)C1O)CO | InChi: | InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4-,5+,6+/m0/s1 | Synonyms: | alpha-L-idose | Definition date: | 2012-12-18 | Last modified: | 2020-07-17 | Release date: | 2020-07-29 | Identifier: | alpha-L-idopyranose |
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| Z15 | Name: | (1S)-1,5-anhydro-1-(4-chloro-2,5-dihydroxyphenyl)-D-glucitol | Formula: | C12 H15 Cl O7 | SMILES: | Clc1c(O)cc(c(O)c1)C2OC(CO)C(O)C(O)C2O | InChi: | InChI=1S/C12H15ClO7/c13-5-2-6(15)4(1-7(5)16)12-11(19)10(18)9(17)8(3-14)20-12/h1-2,8-12,14-19H,3H2/t8-,9-,10+,11-,12+/m1/s1 | Definition date: | 2010-07-01 | Last modified: | 2020-07-17 | Identifier: | (1S)-1,5-anhydro-1-(4-chloro-2,5-dihydroxyphenyl)-D-glucitol |
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| Z16 | Name: | (1S)-1,5-anhydro-1-(3-chloro-2,5-dihydroxyphenyl)-D-glucitol | Formula: | C12 H15 Cl O7 | SMILES: | Clc1cc(O)cc(c1O)C2OC(CO)C(O)C(O)C2O | InChi: | InChI=1S/C12H15ClO7/c13-6-2-4(15)1-5(8(6)16)12-11(19)10(18)9(17)7(3-14)20-12/h1-2,7,9-12,14-19H,3H2/t7-,9-,10+,11-,12+/m1/s1 | Definition date: | 2010-07-01 | Last modified: | 2020-07-17 | Identifier: | (1S)-1,5-anhydro-1-(3-chloro-2,5-dihydroxyphenyl)-D-glucitol |
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| Z2D | Name: | alpha-L-allopyranose | Formula: | C6 H12 O6 | SMILES: | OC1C(O)C(OC(O)C1O)CO | InChi: | InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5-,6+/m0/s1 | Synonyms: | alpha-L-allose | Definition date: | 2012-12-17 | Last modified: | 2020-07-17 | Release date: | 2020-07-29 | Identifier: | alpha-L-allopyranose |
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| Z2T | Name: | (1S)-1,5-anhydro-1-(3-chloro-2-hydroxy-5-methoxyphenyl)-D-glucitol | Formula: | C13 H17 Cl O7 | SMILES: | Clc1cc(OC)cc(c1O)C2OC(CO)C(O)C(O)C2O | InChi: | InChI=1S/C13H17ClO7/c1-20-5-2-6(9(16)7(14)3-5)13-12(19)11(18)10(17)8(4-15)21-13/h2-3,8,10-13,15-19H,4H2,1H3/t8-,10-,11+,12-,13+/m1/s1 | Definition date: | 2010-07-01 | Last modified: | 2020-07-17 | Identifier: | (1S)-1,5-anhydro-1-(3-chloro-2-hydroxy-5-methoxyphenyl)-D-glucitol |
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| Z57 | Name: | (1S)-1,5-anhydro-1-(4-bromo-2,5-dihydroxyphenyl)-D-glucitol | Formula: | C12 H15 Br O7 | SMILES: | Brc1c(O)cc(c(O)c1)C2OC(CO)C(O)C(O)C2O | InChi: | InChI=1S/C12H15BrO7/c13-5-2-6(15)4(1-7(5)16)12-11(19)10(18)9(17)8(3-14)20-12/h1-2,8-12,14-19H,3H2/t8-,9-,10+,11-,12+/m1/s1 | Definition date: | 2010-07-01 | Last modified: | 2020-07-17 | Identifier: | (1S)-1,5-anhydro-1-(4-bromo-2,5-dihydroxyphenyl)-D-glucitol |
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| Z6H | Name: | alpha-L-altropyranose | Formula: | C6 H12 O6 | SMILES: | OC1C(O)C(OC(O)C1O)CO | InChi: | InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5+,6+/m0/s1 | Synonyms: | alpha-L-altrose | Definition date: | 2012-12-17 | Last modified: | 2020-07-17 | Release date: | 2019-05-15 | Identifier: | alpha-L-altropyranose |
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| Z6J | Name: | alpha-L-ribofuranose | Formula: | C5 H10 O5 | SMILES: | OC1C(OC(O)C1O)CO | InChi: | InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5+/m0/s1 | Synonyms: | alpha-L-ribose | Definition date: | 2012-12-19 | Last modified: | 2020-07-17 | Release date: | 2014-05-28 | Identifier: | alpha-L-ribofuranose |
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| Z9N | Name: | alpha-D-fructofuranose | Formula: | C6 H12 O6 | SMILES: | OC1C(O)C(OC1(O)CO)CO | InChi: | InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6+/m1/s1 | Synonyms: | alpha-D-fructose | Definition date: | 2012-12-17 | Last modified: | 2020-07-17 | Release date: | 2019-10-30 | Identifier: | alpha-D-fructofuranose |
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| ZCD | Name: | alpha-D-idopyranose | Formula: | C6 H12 O6 | SMILES: | OC1C(O)C(OC(O)C1O)CO | InChi: | InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4-,5+,6+/m1/s1 | Synonyms: | alpha-D-idose | Definition date: | 2012-12-17 | Last modified: | 2020-07-17 | Release date: | 2020-07-29 | Identifier: | alpha-D-idopyranose |
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| G1P | Name: | 1-O-phosphono-alpha-D-glucopyranose | Formula: | C6 H13 O9 P | SMILES: | O=P(O)(OC1OC(C(O)C(O)C1O)CO)O | InChi: | InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1 | Synonyms: | ALPHA-D-GLUCOSE-1-PHOSPHATE | Definition date: | 1999-07-08 | Last modified: | 2020-07-17 | Identifier: | 1-O-phosphono-alpha-D-glucopyranose |
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| G2F | Name: | 2-deoxy-2-fluoro-alpha-D-glucopyranose | Formula: | C6 H11 F O5 | SMILES: | FC1C(O)C(O)C(OC1O)CO | InChi: | InChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3-,4-,5-,6+/m1/s1 | Synonyms: | 2-deoxy-2-fluoro-alpha-D-glucose | Definition date: | 1999-07-08 | Last modified: | 2020-07-17 | Identifier: | 2-deoxy-2-fluoro-alpha-D-glucopyranose |
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| G4D | Name: | 4-deoxy-alpha-D-glucopyranose | Formula: | C6 H12 O5 | SMILES: | OC1CC(OC(O)C1O)CO | InChi: | InChI=1S/C6H12O5/c7-2-3-1-4(8)5(9)6(10)11-3/h3-10H,1-2H2/t3-,4-,5+,6-/m0/s1 | Synonyms: | 4-DEOXY-ALPHA-D-GLUCOSE | Definition date: | 1999-07-08 | Last modified: | 2020-07-17 | Identifier: | 4-deoxy-alpha-D-xylo-hexopyranose |
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| G6D | Name: | alpha-D-quinovopyranose | Formula: | C6 H12 O5 | SMILES: | C1(C(O)C(O)C(O)C(O1)C)O | InChi: | InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5-,6+/m1/s1 | Synonyms: | alpha-D-quinovose | Definition date: | 1999-08-04 | Last modified: | 2020-07-17 | Identifier: | 6-deoxy-alpha-D-glucopyranose |
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| G6P | Name: | 6-O-phosphono-alpha-D-glucopyranose | Formula: | C6 H13 O9 P | SMILES: | O=P(O)(O)OCC1OC(O)C(O)C(O)C1O | InChi: | InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6+/m1/s1 | Synonyms: | ALPHA-D-GLUCOSE-6-PHOSPHATE | Definition date: | 1999-07-08 | Last modified: | 2020-07-17 | Identifier: | 6-O-phosphono-alpha-D-glucopyranose |
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| GAA | Name: | 3-nitrophenyl alpha-D-galactopyranoside | Formula: | C12 H15 N O8 | SMILES: | [O-][N+](=O)c2cc(OC1OC(C(O)C(O)C1O)CO)ccc2 | InChi: | InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-2-6(4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9+,10+,11-,12+/m1/s1 | Synonyms: | METANITROPHENYL-ALPHA-D-GALACTOSIDE | Definition date: | 1999-07-08 | Last modified: | 2020-07-17 | Identifier: | 3-nitrophenyl alpha-D-galactopyranoside |
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| GAF | Name: | 2-deoxy-2-fluoro-alpha-D-galactopyranose | Formula: | C6 H11 F O5 | SMILES: | FC1C(O)C(O)C(OC1O)CO | InChi: | InChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 | Synonyms: | 2-DEOXY-2-FLUORO-GALACTOSE | Definition date: | 2004-02-11 | Last modified: | 2020-07-17 | Identifier: | 2-deoxy-2-fluoro-alpha-D-galactopyranose |
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| GAT | Name: | 4-aminophenyl alpha-D-galactopyranoside | Formula: | C12 H17 N O6 | SMILES: | O(c1ccc(N)cc1)C2OC(C(O)C(O)C2O)CO | InChi: | InChI=1S/C12H17NO6/c13-6-1-3-7(4-2-6)18-12-11(17)10(16)9(15)8(5-14)19-12/h1-4,8-12,14-17H,5,13H2/t8-,9+,10+,11-,12+/m1/s1 | Synonyms: | 4'-AMINOPHENYL-ALPHA-D-GALACTOPYRANOSIDE | Definition date: | 2000-02-09 | Last modified: | 2020-07-17 | Identifier: | 4-aminophenyl alpha-D-galactopyranoside |
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| GCD | Name: | 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid | Formula: | C6 H8 O6 | SMILES: | O=C(O)C=1OC(O)C(O)C(O)C=1 | InChi: | InChI=1S/C6H8O6/c7-2-1-3(5(9)10)12-6(11)4(2)8/h1-2,4,6-8,11H,(H,9,10)/t2-,4+,6+/m0/s1 | Synonyms: | 4,5-DEHYDRO-D-GLUCURONIC ACID | Definition date: | 2000-12-14 | Last modified: | 2020-07-17 | Identifier: | 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid |
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