 | | 2DA | | Name: | 2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATE | | Formula: | C10 H14 N5 O5 P | | SMILES: | O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3 | | InChi: | InChI=1S/C10H14N5O5P/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(20-7)3-19-21(16,17)18/h4-7H,1-3H2,(H2,11,12,13)(H2,16,17,18)/t6-,7+/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | [(2S,5R)-5-(6-amino-9H-purin-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate |
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 | | 2DB | | Name: | (S)-(2,3-DIHYDROXYPROPOXY)TRIHYDROXYBORATE | | Formula: | C3 H10 B O6 | | SMILES: | O[B-](O)(O)OCC(O)CO | | InChi: | InChI=1S/C3H10BO6/c5-1-3(6)2-10-4(7,8)9/h3,5-9H,1-2H2/q-1/t3-/m0/s1 | | Definition date: | 2006-09-19 | | Last modified: | 2024-09-27 | | Identifier: | trihydroxy[(2S)-propane-1,2,3-triolato-kappaO~1~]borate(1-) |
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 | | 2DG | | Name: | 2-deoxy-alpha-D-galactopyranose | | Formula: | C6 H12 O5 | | SMILES: | OC1C(OC(O)CC1O)CO | | InChi: | InChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5+,6-/m1/s1 | | Synonyms: | 2-deoxy-alpha-D-lyxo-hexopyranose | | Definition date: | 2001-10-02 | | Last modified: | 2024-09-27 | | Identifier: | 2-deoxy-alpha-D-lyxo-hexopyranose |
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 | | 2DO | | Name: | (2S)-2-AMINOHEXANE-1,1-DIOL | | Formula: | C6 H15 N O2 | | SMILES: | OC(O)C(N)CCCC | | InChi: | InChI=1S/C6H15NO2/c1-2-3-4-5(7)6(8)9/h5-6,8-9H,2-4,7H2,1H3/t5-/m0/s1 | | Definition date: | 2005-09-26 | | Last modified: | 2024-09-27 | | Identifier: | (2S)-2-aminohexane-1,1-diol |
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 | | 2DR | | Name: | 2-deoxy-beta-D-erythro-pentofuranose | | Formula: | C5 H10 O4 | | SMILES: | OCC1OC(O)CC1O | | InChi: | InChI=1S/C5H10O4/c6-2-4-3(7)1-5(8)9-4/h3-8H,1-2H2/t3-,4+,5+/m0/s1 | | Synonyms: | 2-deoxy-beta-D-ribofuranose | | Definition date: | 2009-07-20 | | Last modified: | 2024-09-27 | | Identifier: | 2-deoxy-beta-D-erythro-pentofuranose |
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 | | 2EI | | Name: | 2-methyl-5-[[3-[1-[(3~{S},5~{R})-5-methyl-1-propanoyl-pyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one | | Formula: | C32 H33 N5 O3 | | SMILES: | CCC(=O)N1C[CH](C[CH]1C)n2cc(c3ccncc3)c(n2)c4cccc(OCc5ccc6c(CN(C)C6=O)c5)c4 | | InChi: | InChI=1S/C32H33N5O3/c1-4-30(38)36-18-26(14-21(36)2)37-19-29(23-10-12-33-13-11-23)31(34-37)24-6-5-7-27(16-24)40-20-22-8-9-28-25(15-22)17-35(3)32(28)39/h5-13,15-16,19,21,26H,4,14,17-18,20H2,1-3H3/t21-,26+/m1/s1 | | Definition date: | 2023-07-11 | | Last modified: | 2024-09-27 | | Release date: | 2024-06-05 | | Identifier: | 2-methyl-5-[[3-[1-[(3~{S},5~{R})-5-methyl-1-propanoyl-pyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one |
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 | | 2EV | | Name: | (3S,4S)-1-[(2-chlorophenyl)sulfonyl]-N-[(2E)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)pyrrolidine-3-carboxamide | | Formula: | C18 H23 Cl N4 O5 S | | SMILES: | O=C(N1CCOCC1)C3C(C(=O)NCC=[N@H])CN(S(=O)(=O)c2ccccc2Cl)C3 | | InChi: | InChI=1S/C18H23ClN4O5S/c19-15-3-1-2-4-16(15)29(26,27)23-11-13(17(24)21-6-5-20)14(12-23)18(25)22-7-9-28-10-8-22/h1-5,13-14,20H,6-12H2,(H,21,24)/b20-5+/t13-,14-/m1/s1 | | Definition date: | 2013-10-01 | | Last modified: | 2024-09-27 | | Release date: | 2014-08-20 | | Identifier: | (3S,4S)-1-[(2-chlorophenyl)sulfonyl]-N-[(2E)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)pyrrolidine-3-carboxamide |
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 | | 2EW | | Name: | (3S,4S)-N-[(2E)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)-1-(phenylsulfonyl)pyrrolidine-3-carboxamide | | Formula: | C18 H24 N4 O5 S | | SMILES: | O=C(N1CCOCC1)C3C(C(=O)NCC=[N@H])CN(S(=O)(=O)c2ccccc2)C3 | | InChi: | InChI=1S/C18H24N4O5S/c19-6-7-20-17(23)15-12-22(28(25,26)14-4-2-1-3-5-14)13-16(15)18(24)21-8-10-27-11-9-21/h1-6,15-16,19H,7-13H2,(H,20,23)/b19-6+/t15-,16-/m1/s1 | | Definition date: | 2013-10-01 | | Last modified: | 2024-09-27 | | Release date: | 2014-09-10 | | Identifier: | (3S,4S)-N-[(2E)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)-1-(phenylsulfonyl)pyrrolidine-3-carboxamide |
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 | | 2F3 | | Name: | 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid | | Formula: | C25 H17 Cl F N3 O3 | | SMILES: | O=C5NC=CC=C5c2c1cc(c(F)cc1n(c2C(=O)O)Cc3cc4ccccc4nc3Cl)C | | InChi: | InChI=1S/C25H17ClFN3O3/c1-13-9-17-20(11-18(13)27)30(12-15-10-14-5-2-3-7-19(14)29-23(15)26)22(25(32)33)21(17)16-6-4-8-28-24(16)31/h2-11H,12H2,1H3,(H,28,31)(H,32,33) | | Definition date: | 2013-10-07 | | Last modified: | 2024-09-27 | | Release date: | 2013-12-11 | | Identifier: | 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid |
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 | | 2FG | | Name: | 2-deoxy-2-fluoro-beta-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-FLUORO-2-DEOXY-BETA-D-GALACTOPYRANOSE | | Definition date: | 2001-10-02 | | Last modified: | 2024-09-27 | | Identifier: | 2-deoxy-2-fluoro-beta-D-galactopyranose |
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 | | 2FP | | Name: | 1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM) | | Formula: | C6 H14 O12 P2 | | SMILES: | O=P(OCC(O)C(O)C(O)C(=O)COP(=O)(O)O)(O)O | | InChi: | InChI=1S/C6H14O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3,5-7,9-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,5+,6+/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 1,6-di-O-phosphono-D-sorbose |
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 | | 2FU | | Name: | BUT-2-ENEDIAL | | Formula: | C4 H4 O2 | | SMILES: | O=CC=CC=O | | InChi: | InChI=1S/C4H4O2/c5-3-1-2-4-6/h1-4H/b2-1+ | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | (2E)-but-2-enedial |
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 | | 2GH | | Name: | N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-pentyl-beta-alaninamide | | Formula: | C14 H29 N2 O7 P | | SMILES: | O=P(OCC(C(O)C(=O)NCCC(=O)NCCCCC)(C)C)(O)O | | InChi: | InChI=1S/C14H29N2O7P/c1-4-5-6-8-15-11(17)7-9-16-13(19)12(18)14(2,3)10-23-24(20,21)22/h12,18H,4-10H2,1-3H3,(H,15,17)(H,16,19)(H2,20,21,22)/t12-/m0/s1 | | Definition date: | 2013-10-16 | | Last modified: | 2024-09-27 | | Release date: | 2014-09-03 | | Identifier: | N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-pentyl-beta-alaninamide |
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 | | 2GI | | Name: | 1-[(3~{R})-3-[4-azanyl-3-[1-(2-phenylethyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one | | Formula: | C23 H27 N9 O | | SMILES: | CCC(=O)N1CCC[CH](C1)n2nc(c3cn(CCc4ccccc4)nn3)c5c(N)ncnc25 | | InChi: | InChI=1S/C23H27N9O/c1-2-19(33)30-11-6-9-17(13-30)32-23-20(22(24)25-15-26-23)21(28-32)18-14-31(29-27-18)12-10-16-7-4-3-5-8-16/h3-5,7-8,14-15,17H,2,6,9-13H2,1H3,(H2,24,25,26)/t17-/m1/s1 | | Definition date: | 2021-06-15 | | Last modified: | 2024-09-27 | | Release date: | 2022-07-20 | | Identifier: | 1-[(3~{R})-3-[4-azanyl-3-[1-(2-phenylethyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one |
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 | | 2GK | | Name: | (2E)-3-[2-(dihydroxyboranyl)-1-benzothiophen-3-yl]prop-2-enoic acid | | Formula: | C11 H9 B O4 S | | SMILES: | O=C(O)C=Cc1c2ccccc2sc1B(O)O | | InChi: | InChI=1S/C11H9BO4S/c13-10(14)6-5-8-7-3-1-2-4-9(7)17-11(8)12(15)16/h1-6,15-16H,(H,13,14)/b6-5+ | | Definition date: | 2014-02-21 | | Last modified: | 2024-09-27 | | Release date: | 2014-06-18 | | Identifier: | (2E)-3-[2-(dihydroxyboranyl)-1-benzothiophen-3-yl]prop-2-enoic acid |
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 | | 2GX | | Name: | beta-phenyl-L-phenylalanine | | Formula: | C15 H15 N O2 | | SMILES: | O=C(O)C(N)C(c1ccccc1)c2ccccc2 | | InChi: | InChI=1S/C15H15NO2/c16-14(15(17)18)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H,16H2,(H,17,18)/t14-/m0/s1 | | Definition date: | 2013-02-15 | | Last modified: | 2024-09-27 | | Release date: | 2016-10-26 | | Identifier: | beta-phenyl-L-phenylalanine |
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 | | 2HF | | Name: | 2-fluoro-L-histidine | | Formula: | C6 H9 F N3 O2 | | SMILES: | Fc1[nH+]c(cn1)CC(N)C(=O)O | | InChi: | InChI=1S/C6H8FN3O2/c7-6-9-2-3(10-6)1-4(8)5(11)12/h2,4H,1,8H2,(H,9,10)(H,11,12)/p+1/t4-/m0/s1 | | Definition date: | 2010-04-22 | | Last modified: | 2024-09-27 | | Identifier: | 3-(2-fluoro-1H-imidazol-3-ium-4-yl)-L-alanine |
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 | | 2HR | | Name: | HEXYLPHOSPHONIC ACID (R)-2-METHYL-3-PHENYLPROPYL ESTER | | Formula: | C16 H27 O3 P | | SMILES: | O=P(O)(OCC(Cc1ccccc1)C)CCCCCC | | InChi: | InChI=1S/C16H27O3P/c1-3-4-5-9-12-20(17,18)19-14-15(2)13-16-10-7-6-8-11-16/h6-8,10-11,15H,3-5,9,12-14H2,1-2H3,(H,17,18)/t15-/m1/s1 | | Definition date: | 2005-02-23 | | Last modified: | 2024-09-27 | | Identifier: | (2R)-2-methyl-3-phenylpropyl hydrogen (S)-hexylphosphonate |
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 | | 2HS | | Name: | HEXYLPHOSPHONIC ACID (S)-2-METHYL-3-PHENYLPROPYL ESTER | | Formula: | C16 H27 O3 P | | SMILES: | O=P(O)(OCC(Cc1ccccc1)C)CCCCCC | | InChi: | InChI=1S/C16H27O3P/c1-3-4-5-9-12-20(17,18)19-14-15(2)13-16-10-7-6-8-11-16/h6-8,10-11,15H,3-5,9,12-14H2,1-2H3,(H,17,18)/t15-/m0/s1 | | Definition date: | 2005-02-23 | | Last modified: | 2024-09-27 | | Identifier: | (2S)-2-methyl-3-phenylpropyl hydrogen (S)-hexylphosphonate |
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 | | 2I0 | | Name: | 1-[(3~{S})-3-[4-(6,7-dimethoxyquinazolin-4-yl)-3-(3-methoxyphenyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-1-one | | Formula: | C27 H29 N5 O4 | | SMILES: | CCC(=O)N1CC[CH](C1)n2cc(c(n2)c3cccc(OC)c3)c4ncnc5cc(OC)c(OC)cc45 | | InChi: | InChI=1S/C27H29N5O4/c1-5-25(33)31-10-9-18(14-31)32-15-21(26(30-32)17-7-6-8-19(11-17)34-2)27-20-12-23(35-3)24(36-4)13-22(20)28-16-29-27/h6-8,11-13,15-16,18H,5,9-10,14H2,1-4H3/t18-/m0/s1 | | Definition date: | 2023-07-11 | | Last modified: | 2024-09-27 | | Release date: | 2024-06-05 | | Identifier: | 1-[(3~{S})-3-[4-(6,7-dimethoxyquinazolin-4-yl)-3-(3-methoxyphenyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-1-one |
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 | | 2I5 | | Name: | 1-[(3~{R})-3-[4-azanyl-3-[1-(5-bromanyl-2-oxidanyl-phenyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one | | Formula: | C21 H22 Br N9 O2 | | SMILES: | CCC(=O)N1CCC[CH](C1)n2nc(c3cn(nn3)c4cc(Br)ccc4O)c5c(N)ncnc25 | | InChi: | InChI=1S/C21H22BrN9O2/c1-2-17(33)29-7-3-4-13(9-29)31-21-18(20(23)24-11-25-21)19(27-31)14-10-30(28-26-14)15-8-12(22)5-6-16(15)32/h5-6,8,10-11,13,32H,2-4,7,9H2,1H3,(H2,23,24,25)/t13-/m1/s1 | | Definition date: | 2021-06-15 | | Last modified: | 2024-09-27 | | Release date: | 2022-07-20 | | Identifier: | 1-[(3~{R})-3-[4-azanyl-3-[1-(5-bromanyl-2-oxidanyl-phenyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one |
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 | | 2I6 | | Name: | 1-[3-[7-methoxy-4-[3-(3-methoxyphenyl)-1~{H}-pyrazol-4-yl]quinazolin-6-yl]oxyazetidin-1-yl]propan-1-one | | Formula: | C25 H25 N5 O4 | | SMILES: | CCC(=O)N1CC(C1)Oc2cc3c(cc2OC)ncnc3c4c[nH]nc4c5cccc(OC)c5 | | InChi: | InChI=1S/C25H25N5O4/c1-4-23(31)30-12-17(13-30)34-22-9-18-20(10-21(22)33-3)26-14-27-25(18)19-11-28-29-24(19)15-6-5-7-16(8-15)32-2/h5-11,14,17H,4,12-13H2,1-3H3,(H,28,29) | | Definition date: | 2023-07-11 | | Last modified: | 2024-09-27 | | Release date: | 2024-06-05 | | Identifier: | 1-[3-[7-methoxy-4-[3-(3-methoxyphenyl)-1~{H}-pyrazol-4-yl]quinazolin-6-yl]oxyazetidin-1-yl]propan-1-one |
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 | | 2I8 | | Name: | 3-(1~{H}-indazol-3-yl)-~{N}-[[1-(2-methylphenyl)-1,2,3-triazol-4-yl]methyl]-5-(propanoylamino)benzamide | | Formula: | C27 H25 N7 O2 | | SMILES: | CCC(=O)Nc1cc(cc(c1)c2n[nH]c3ccccc23)C(=O)NCc4cn(nn4)c5ccccc5C | | InChi: | InChI=1S/C27H25N7O2/c1-3-25(35)29-20-13-18(26-22-9-5-6-10-23(22)31-32-26)12-19(14-20)27(36)28-15-21-16-34(33-30-21)24-11-7-4-8-17(24)2/h4-14,16H,3,15H2,1-2H3,(H,28,36)(H,29,35)(H,31,32) | | Definition date: | 2021-06-15 | | Last modified: | 2024-09-27 | | Release date: | 2022-07-20 | | Identifier: | 3-(1~{H}-indazol-3-yl)-~{N}-[[1-(2-methylphenyl)-1,2,3-triazol-4-yl]methyl]-5-(propanoylamino)benzamide |
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 | | 2I9 | | Name: | (~{Z})-4-[2-[4-[[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]oxy]phenoxy]ethylamino]-~{N},~{N}-dimethyl-but-2-enamide | | Formula: | C28 H28 N2 O5 S | | SMILES: | CN(C)C(=O)C=CCNCCOc1ccc(Oc2c(sc3cc(O)ccc23)c4ccc(O)cc4)cc1 | | InChi: | InChI=1S/C28H28N2O5S/c1-30(2)26(33)4-3-15-29-16-17-34-22-10-12-23(13-11-22)35-27-24-14-9-21(32)18-25(24)36-28(27)19-5-7-20(31)8-6-19/h3-14,18,29,31-32H,15-17H2,1-2H3/b4-3- | | Definition date: | 2022-01-27 | | Last modified: | 2024-09-27 | | Release date: | 2023-01-25 | | Identifier: | (~{Z})-4-[2-[4-[[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]oxy]phenoxy]ethylamino]-~{N},~{N}-dimethyl-but-2-enamide |
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 | | 2IE | | Name: | 2-(4-phenoxyphenoxy)-5-[(3R)-1-(prop-2-enoyl)piperidin-3-yl]pyridine-3-carboxamide | | Formula: | C26 H27 N3 O4 | | SMILES: | O=C(CC)N1CCCC(C1)c1cc(C(N)=O)c(Oc2ccc(Oc3ccccc3)cc2)nc1 | | InChi: | InChI=1S/C26H27N3O4/c1-2-24(30)29-14-6-7-18(17-29)19-15-23(25(27)31)26(28-16-19)33-22-12-10-21(11-13-22)32-20-8-4-3-5-9-20/h3-5,8-13,15-16,18H,2,6-7,14,17H2,1H3,(H2,27,31)/t18-/m0/s1 | | Definition date: | 2021-06-28 | | Last modified: | 2024-09-27 | | Release date: | 2021-10-06 | | Identifier: | 2-(4-phenoxyphenoxy)-5-[(3R)-1-propanoylpiperidin-3-yl]pyridine-3-carboxamide |
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