 | | QSQ | | Name: | [(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-(trifluoromethyloxy)oxolan-2-yl]methyl dihydrogen phosphite | | Formula: | C11 H13 F3 N5 O6 P | | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](COP(O)O)[CH](O)[CH]3OC(F)(F)F | | InChi: | InChI=1S/C11H13F3N5O6P/c12-11(13,14)25-7-6(20)4(1-23-26(21)22)24-10(7)19-3-18-5-8(15)16-2-17-9(5)19/h2-4,6-7,10,20-22H,1H2,(H2,15,16,17)/t4-,6-,7-,10-/m1/s1 | | Definition date: | 2020-07-31 | | Last modified: | 2020-12-11 | | Release date: | 2020-12-16 | | Identifier: | [(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-(trifluoromethyloxy)oxolan-2-yl]methyl dihydrogen phosphite |
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 | | QTA | | Name: | 3-(phenylsulfonyl)benzene-1-sulfonamide | | Formula: | C12 H11 N O4 S2 | | SMILES: | c1(cc(S(N)(=O)=O)ccc1)S(c2ccccc2)(=O)=O | | InChi: | InChI=1S/C12H11NO4S2/c13-19(16,17)12-8-4-7-11(9-12)18(14,15)10-5-2-1-3-6-10/h1-9H,(H2,13,16,17) | | Definition date: | 2019-12-18 | | Last modified: | 2020-12-11 | | Release date: | 2020-12-16 | | Identifier: | 3-(phenylsulfonyl)benzene-1-sulfonamide |
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 | | W4Y | | Name: | 1-{2-[(propan-2-yl)oxy]ethyl}-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one | | Formula: | C11 H15 N3 O2 S | | SMILES: | C1(=O)NC(N(CCOC(C)C)c2ccnc12)=S | | InChi: | InChI=1S/C11H15N3O2S/c1-7(2)16-6-5-14-8-3-4-12-9(8)10(15)13-11(14)17/h3-4,7,12H,5-6H2,1-2H3,(H,13,15,17) | | Definition date: | 2020-09-29 | | Last modified: | 2020-12-11 | | Release date: | 2020-12-16 | | Identifier: | 1-{2-[(propan-2-yl)oxy]ethyl}-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one |
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 | | W51 | | Name: | 6-[(1s,4s)-2-azabicyclo[2.2.2]octan-2-yl]-5-chloropyrimidin-4-amine | | Formula: | C11 H15 Cl N4 | | SMILES: | C3C2CN(c1c(c(N)ncn1)Cl)C(CC2)C3 | | InChi: | InChI=1S/C11H15ClN4/c12-9-10(13)14-6-15-11(9)16-5-7-1-3-8(16)4-2-7/h6-8H,1-5H2,(H2,13,14,15)/t7-,8+ | | Definition date: | 2020-09-29 | | Last modified: | 2020-12-11 | | Release date: | 2020-12-16 | | Identifier: | 6-[(1s,4s)-2-azabicyclo[2.2.2]octan-2-yl]-5-chloropyrimidin-4-amine |
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 | | W57 | | Name: | 3-[(3-methoxy-1,2-oxazol-5-yl)methyl]-3H-purin-6-amine | | Formula: | C10 H10 N6 O2 | | SMILES: | c3(CN2C=NC(=C1N=CN=C12)N)onc(c3)OC | | InChi: | InChI=1S/C10H10N6O2/c1-17-7-2-6(18-15-7)3-16-5-14-9(11)8-10(16)13-4-12-8/h2,4-5H,3,11H2,1H3 | | Definition date: | 2020-09-29 | | Last modified: | 2020-12-11 | | Release date: | 2020-12-16 | | Identifier: | 3-[(3-methoxy-1,2-oxazol-5-yl)methyl]-3H-purin-6-amine |
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 | | W5A | | Name: | 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-3H-purin-6-amine | | Formula: | C10 H10 N6 S | | SMILES: | c1(csc(n1)C)CN2C=3C(=C(N)N=C2)N=CN=3 | | InChi: | InChI=1S/C10H10N6S/c1-6-15-7(3-17-6)2-16-5-14-9(11)8-10(16)13-4-12-8/h3-5H,2,11H2,1H3 | | Definition date: | 2020-09-29 | | Last modified: | 2020-12-11 | | Release date: | 2020-12-16 | | Identifier: | 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-3H-purin-6-amine |
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 | | W5D | | Name: | 4-(1,4-oxazonan-4-yl)-7H-pyrrolo[2,3-d]pyrimidine | | Formula: | C13 H18 N4 O | | SMILES: | c2(c1ccnc1ncn2)N3CCOCCCCC3 | | InChi: | InChI=1S/C13H18N4O/c1-2-6-17(7-9-18-8-3-1)13-11-4-5-14-12(11)15-10-16-13/h4-5,10H,1-3,6-9H2,(H,14,15,16) | | Definition date: | 2020-09-29 | | Last modified: | 2020-12-11 | | Release date: | 2020-12-16 | | Identifier: | 4-(1,4-oxazonan-4-yl)-7H-pyrrolo[2,3-d]pyrimidine |
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 | | W5G | | Name: | 4-(5-azaspiro[2.5]octan-5-yl)-7H-pyrrolo[2,3-d]pyrimidine | | Formula: | C13 H16 N4 | | SMILES: | n2c1nccc1c(nc2)N4CCCC3(CC3)C4 | | InChi: | InChI=1S/C13H16N4/c1-3-13(4-5-13)8-17(7-1)12-10-2-6-14-11(10)15-9-16-12/h2,6,9H,1,3-5,7-8H2,(H,14,15,16) | | Definition date: | 2020-09-29 | | Last modified: | 2020-12-11 | | Release date: | 2020-12-16 | | Identifier: | 4-(5-azaspiro[2.5]octan-5-yl)-7H-pyrrolo[2,3-d]pyrimidine |
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 | | W5J | | Name: | N-methyl-N-7H-pyrrolo[2,3-d]pyrimidin-4-yl-beta-alanine | | Formula: | C10 H12 N4 O2 | | SMILES: | c1nc2nccc2c(n1)N(C)CCC(O)=O | | InChi: | InChI=1S/C10H12N4O2/c1-14(5-3-8(15)16)10-7-2-4-11-9(7)12-6-13-10/h2,4,6H,3,5H2,1H3,(H,15,16)(H,11,12,13) | | Definition date: | 2020-09-29 | | Last modified: | 2020-12-11 | | Release date: | 2020-12-16 | | Identifier: | N-methyl-N-7H-pyrrolo[2,3-d]pyrimidin-4-yl-beta-alanine |
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 | | W5P | | Name: | 4-[(3R)-3-fluoropiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine | | Formula: | C11 H13 F N4 | | SMILES: | c1nc3nccc3c(n1)N2CCCC(F)C2 | | InChi: | InChI=1S/C11H13FN4/c12-8-2-1-5-16(6-8)11-9-3-4-13-10(9)14-7-15-11/h3-4,7-8H,1-2,5-6H2,(H,13,14,15)/t8-/m1/s1 | | Definition date: | 2020-09-29 | | Last modified: | 2020-12-11 | | Release date: | 2020-12-16 | | Identifier: | 4-[(3R)-3-fluoropiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine |
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 | | X2Y | | Name: | 2,4-di-O-sulfo-alpha-L-fucopyranose | | Formula: | C6 H12 O11 S2 | | SMILES: | C1(C(C(C(C(O1)O)OS(O)(=O)=O)O)OS(O)(=O)=O)C | | InChi: | InChI=1S/C6H12O11S2/c1-2-4(16-18(9,10)11)3(7)5(6(8)15-2)17-19(12,13)14/h2-8H,1H3,(H,9,10,11)(H,12,13,14)/t2-,3+,4+,5-,6+/m0/s1 | | Synonyms: | 6-deoxy-2,4-di-O-sulfo-alpha-L-galactopyranose | | Definition date: | 2020-11-23 | | Last modified: | 2020-12-11 | | Release date: | 2020-12-16 | | Identifier: | 6-deoxy-2,4-di-O-sulfo-alpha-L-galactopyranose |
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 | | W5S | | Name: | 7-[(furan-2-yl)methyl]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine | | Formula: | C13 H14 N4 O | | SMILES: | n1(c2c(c(c1C)C)c(ncn2)N)Cc3ccco3 | | InChi: | InChI=1S/C13H14N4O/c1-8-9(2)17(6-10-4-3-5-18-10)13-11(8)12(14)15-7-16-13/h3-5,7H,6H2,1-2H3,(H2,14,15,16) | | Definition date: | 2020-09-29 | | Last modified: | 2020-12-11 | | Release date: | 2020-12-16 | | Identifier: | 7-[(furan-2-yl)methyl]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
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 | | X34 | | Name: | 4-O-sulfo-alpha-L-fucopyranose | | Formula: | C6 H12 O8 S | | SMILES: | C1(C(OS(O)(=O)=O)C(O)C(O)C(O)O1)C | | InChi: | InChI=1S/C6H12O8S/c1-2-5(14-15(10,11)12)3(7)4(8)6(9)13-2/h2-9H,1H3,(H,10,11,12)/t2-,3-,4-,5+,6+/m0/s1 | | Synonyms: | 6-deoxy-4-O-sulfo-alpha-L-galactopyranose | | Definition date: | 2020-11-23 | | Last modified: | 2020-12-11 | | Release date: | 2020-12-16 | | Identifier: | 6-deoxy-4-O-sulfo-alpha-L-galactopyranose |
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 | | W6G | | Name: | N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide | | Formula: | C8 H7 N3 O2 S2 | | SMILES: | c1(ccccc1)S(Nc2scnn2)(=O)=O | | InChi: | InChI=1S/C8H7N3O2S2/c12-15(13,7-4-2-1-3-5-7)11-8-10-9-6-14-8/h1-6H,(H,10,11) | | Definition date: | 2020-09-29 | | Last modified: | 2020-12-11 | | Release date: | 2020-12-16 | | Identifier: | N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide |
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 | | W6M | | Name: | 3-{[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl}benzoic acid | | Formula: | C12 H11 N3 O4 | | SMILES: | c2(C(NCc1nc(C)no1)=O)cccc(C(O)=O)c2 | | InChi: | InChI=1S/C12H11N3O4/c1-7-14-10(19-15-7)6-13-11(16)8-3-2-4-9(5-8)12(17)18/h2-5H,6H2,1H3,(H,13,16)(H,17,18) | | Definition date: | 2020-09-29 | | Last modified: | 2020-12-11 | | Release date: | 2020-12-16 | | Identifier: | 3-{[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl}benzoic acid |
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 | | W6V | | Name: | N-(1,3-thiazol-2-yl)benzamide | | Formula: | C10 H8 N2 O S | | SMILES: | c2c(C(=O)Nc1nccs1)cccc2 | | InChi: | InChI=1S/C10H8N2OS/c13-9(8-4-2-1-3-5-8)12-10-11-6-7-14-10/h1-7H,(H,11,12,13) | | Definition date: | 2020-09-29 | | Last modified: | 2020-12-11 | | Release date: | 2020-12-16 | | Identifier: | N-(1,3-thiazol-2-yl)benzamide |
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 | | W7S | | Name: | N-benzylpyrazine-2-carboxamide | | Formula: | C12 H11 N3 O | | SMILES: | c2c(CNC(c1cnccn1)=O)cccc2 | | InChi: | InChI=1S/C12H11N3O/c16-12(11-9-13-6-7-14-11)15-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,15,16) | | Definition date: | 2020-09-29 | | Last modified: | 2020-12-11 | | Release date: | 2020-12-16 | | Identifier: | N-benzylpyrazine-2-carboxamide |
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 | | W7V | | Name: | (1R,5R)-N-methyl-N-(1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-1-carboxamide | | Formula: | C11 H15 N3 O | | SMILES: | C1CCC3C1(C(N(C)c2cnnc2)=O)C3 | | InChi: | InChI=1S/C11H15N3O/c1-14(9-6-12-13-7-9)10(15)11-4-2-3-8(11)5-11/h6-8H,2-5H2,1H3,(H,12,13)/t8-,11-/m1/s1 | | Definition date: | 2020-09-29 | | Last modified: | 2020-12-11 | | Release date: | 2020-12-16 | | Identifier: | (1R,5R)-N-methyl-N-(1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-1-carboxamide |
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 | | W7Y | | Name: | 4-[(2R)-2-cyclobutylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine | | Formula: | C14 H18 N4 | | SMILES: | c1(ncnc2nccc12)N4C(C3CCC3)CCC4 | | InChi: | InChI=1S/C14H18N4/c1-3-10(4-1)12-5-2-8-18(12)14-11-6-7-15-13(11)16-9-17-14/h6-7,9-10,12H,1-5,8H2,(H,15,16,17)/t12-/m1/s1 | | Definition date: | 2020-09-29 | | Last modified: | 2020-12-11 | | Release date: | 2020-12-16 | | Identifier: | 4-[(2R)-2-cyclobutylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine |
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 | | W8A | | Name: | {[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl}acetic acid | | Formula: | C8 H12 N2 O4 S | | SMILES: | CC(C(N1CCNC1=O)=O)SCC(=O)O | | InChi: | InChI=1S/C8H12N2O4S/c1-5(15-4-6(11)12)7(13)10-3-2-9-8(10)14/h5H,2-4H2,1H3,(H,9,14)(H,11,12)/t5-/m0/s1 | | Definition date: | 2020-09-29 | | Last modified: | 2020-12-11 | | Release date: | 2020-12-16 | | Identifier: | {[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl}acetic acid |
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 | | W8D | | Name: | 3-{[(2R)-oxolan-2-yl]methyl}-3H-purin-6-amine | | Formula: | C10 H13 N5 O | | SMILES: | C3(CN2C=NC(=C1N=CN=C12)N)CCCO3 | | InChi: | InChI=1S/C10H13N5O/c11-9-8-10(13-5-12-8)15(6-14-9)4-7-2-1-3-16-7/h5-7H,1-4,11H2/t7-/m1/s1 | | Definition date: | 2020-09-29 | | Last modified: | 2020-12-11 | | Release date: | 2020-12-16 | | Identifier: | 3-{[(2R)-oxolan-2-yl]methyl}-3H-purin-6-amine |
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 | | W8J | | Name: | 3-{3-[(3S)-oxolan-3-yl]propyl}-3H-purin-6-amine | | Formula: | C12 H17 N5 O | | SMILES: | C(CN2C=NC(=C1N=CN=C12)N)CC3COCC3 | | InChi: | InChI=1S/C12H17N5O/c13-11-10-12(15-7-14-10)17(8-16-11)4-1-2-9-3-5-18-6-9/h7-9H,1-6,13H2/t9-/m0/s1 | | Definition date: | 2020-09-29 | | Last modified: | 2020-12-11 | | Release date: | 2020-12-16 | | Identifier: | 3-{3-[(3S)-oxolan-3-yl]propyl}-3H-purin-6-amine |
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 | | X6Y | | Name: | 2-O-sulfo-alpha-L-fucopyranose | | Formula: | C6 H12 O8 S | | SMILES: | C1(C)C(O)C(C(C(O1)O)OS(=O)(O)=O)O | | InChi: | InChI=1S/C6H12O8S/c1-2-3(7)4(8)5(6(9)13-2)14-15(10,11)12/h2-9H,1H3,(H,10,11,12)/t2-,3+,4+,5-,6+/m0/s1 | | Synonyms: | 6-deoxy-2-O-sulfo-alpha-L-galactopyranose | | Definition date: | 2020-12-01 | | Last modified: | 2020-12-11 | | Release date: | 2020-12-16 | | Identifier: | 6-deoxy-2-O-sulfo-alpha-L-galactopyranose |
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 | | RQS | | Name: | N-{[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl}benzamide | | Formula: | C20 H16 N4 O | | SMILES: | n1cnc(c2c1ncc2)c4ccc(CNC(=O)c3ccccc3)cc4 | | InChi: | InChI=1S/C20H16N4O/c25-20(16-4-2-1-3-5-16)22-12-14-6-8-15(9-7-14)18-17-10-11-21-19(17)24-13-23-18/h1-11,13H,12H2,(H,22,25)(H,21,23,24) | | Definition date: | 2020-02-24 | | Last modified: | 2020-12-11 | | Release date: | 2020-12-16 | | Identifier: | N-{[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl}benzamide |
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 | | S5M | | Name: | 4-~{tert}-butyl-~{N}-[[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide | | Formula: | C24 H24 N4 O | | SMILES: | CC(C)(C)c1ccc(cc1)C(=O)NCc2ccc(cc2)c3ncnc4[nH]ccc34 | | InChi: | InChI=1S/C24H24N4O/c1-24(2,3)19-10-8-18(9-11-19)23(29)26-14-16-4-6-17(7-5-16)21-20-12-13-25-22(20)28-15-27-21/h4-13,15H,14H2,1-3H3,(H,26,29)(H,25,27,28) | | Definition date: | 2020-03-04 | | Last modified: | 2020-12-11 | | Release date: | 2020-12-16 | | Identifier: | 4-~{tert}-butyl-~{N}-[[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide |
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