 | | A1ACI | | Name: | N-acetyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-{[(4P)-4-(1H-pyrazol-3-yl)naphthalen-1-yl]methyl}-L-prolinamide | | Formula: | C27 H33 N5 O4 | | SMILES: | CC(C)(C)C(NC(C)=O)C(=O)N1CC(O)CC1C(=O)NCc1ccc(c2cc[NH]n2)c2ccccc12 | | InChi: | InChI=1S/C27H33N5O4/c1-16(33)30-24(27(2,3)4)26(36)32-15-18(34)13-23(32)25(35)28-14-17-9-10-21(22-11-12-29-31-22)20-8-6-5-7-19(17)20/h5-12,18,23-24,34H,13-15H2,1-4H3,(H,28,35)(H,29,31)(H,30,33)/t18-,23+,24-/m1/s1 | | Definition date: | 2024-01-12 | | Last modified: | 2024-03-08 | | Release date: | 2024-03-13 | | Identifier: | N-acetyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-{[(4P)-4-(1H-pyrazol-3-yl)naphthalen-1-yl]methyl}-L-prolinamide |
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 | | A1ADY | | Name: | (2~{S})-2-azanyl-3-[2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]propan-1-ol | | Formula: | C9 H10 N2 O4 | | SMILES: | O=[N+]([O-])c1ccccc1CC(N)C(=O)O | | InChi: | InChI=1S/C9H10N2O4/c10-7(9(12)13)5-6-3-1-2-4-8(6)11(14)15/h1-4,7H,5,10H2,(H,12,13)/t7-/m0/s1 | | Definition date: | 2024-01-29 | | Last modified: | 2024-03-08 | | Release date: | 2024-03-13 | | Identifier: | 2-nitro-L-phenylalanine |
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 | | A1ADZ | | Name: | (2S)-2-amino-3-(2-methoxyphenyl)propan-1-ol | | Formula: | C10 H13 N O3 | | SMILES: | COc1ccccc1CC(N)C(=O)O | | InChi: | InChI=1S/C10H13NO3/c1-14-9-5-3-2-4-7(9)6-8(11)10(12)13/h2-5,8H,6,11H2,1H3,(H,12,13)/t8-/m0/s1 | | Definition date: | 2024-01-29 | | Last modified: | 2024-03-08 | | Release date: | 2024-03-13 | | Identifier: | 2-methoxy-L-phenylalanine |
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 | | A1D6J | | Name: | 2,4-dimethyl-6-[6-(oxan-4-yl)-1-[(1~{S})-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]pyridazin-3-one | | Formula: | C25 H27 N5 O2 | | SMILES: | C[CH](n1c2cc(ncc2nc1C3=NN(C)C(=O)C(=C3)C)C4CCOCC4)c5ccccc5 | | InChi: | InChI=1S/C25H27N5O2/c1-16-13-21(28-29(3)25(16)31)24-27-22-15-26-20(19-9-11-32-12-10-19)14-23(22)30(24)17(2)18-7-5-4-6-8-18/h4-8,13-15,17,19H,9-12H2,1-3H3/t17-/m0/s1 | | Synonyms: | BRD4 Inhibitor-10 | | Definition date: | 2024-03-01 | | Last modified: | 2024-03-08 | | Release date: | 2024-03-13 | | Identifier: | 2,4-dimethyl-6-[6-(oxan-4-yl)-1-[(1~{S})-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]pyridazin-3-one |
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 | | A1H3G | | Name: | 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE (protonated at N1) | | Formula: | C10 H15 N5 O6 P | | SMILES: | Nc1[nH+]cnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3 | | InChi: | InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/p+1/t5-,6+,7+/m0/s1 | | Definition date: | 2024-02-05 | | Last modified: | 2024-03-08 | | Release date: | 2024-03-13 | | Identifier: | [(2~{R},3~{S},5~{R})-5-(6-azanylpurin-1-ium-9-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
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 | | MIQ | | Name: | 2-[(3S)-2,6-dioxopiperidin-3-yl]-5-(morpholin-4-yl)-1H-isoindole-1,3(2H)-dione | | Formula: | C17 H17 N3 O5 | | SMILES: | O=C1NC(=O)CCC1N1C(=O)c2cc(ccc2C1=O)N1CCOCC1 | | InChi: | InChI=1S/C17H17N3O5/c21-14-4-3-13(15(22)18-14)20-16(23)11-2-1-10(9-12(11)17(20)24)19-5-7-25-8-6-19/h1-2,9,13H,3-8H2,(H,18,21,22)/t13-/m0/s1 | | Definition date: | 2023-08-15 | | Last modified: | 2024-03-08 | | Release date: | 2024-03-13 | | Identifier: | 2-[(3S)-2,6-dioxopiperidin-3-yl]-5-(morpholin-4-yl)-1H-isoindole-1,3(2H)-dione |
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 | | I9A | | Name: | (1s,4s)-bicyclo[2.2.1]heptane | | Formula: | C7 H12 | | SMILES: | C1CC2CCC1C2 | | InChi: | InChI=1S/C7H12/c1-2-7-4-3-6(1)5-7/h6-7H,1-5H2/t6-,7+ | | Definition date: | 2023-05-04 | | Last modified: | 2024-03-08 | | Release date: | 2024-03-13 | | Identifier: | (1s,4s)-bicyclo[2.2.1]heptane |
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 | | QPI | | Name: | naphthalene-1,3-diol | | Formula: | C10 H8 O2 | | SMILES: | Oc1cc(O)c2ccccc2c1 | | InChi: | InChI=1S/C10H8O2/c11-8-5-7-3-1-2-4-9(7)10(12)6-8/h1-6,11-12H | | Synonyms: | 1,3-Dihydroxynaphthalene | | Definition date: | 2023-08-30 | | Last modified: | 2024-03-08 | | Release date: | 2024-03-13 | | Identifier: | naphthalene-1,3-diol |
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 | | QW8 | | Name: | naphthalene-1,3,6,8-tetrol | | Formula: | C10 H8 O4 | | SMILES: | Oc1cc(O)c2c(O)cc(O)cc2c1 | | InChi: | InChI=1S/C10H8O4/c11-6-1-5-2-7(12)4-9(14)10(5)8(13)3-6/h1-4,11-14H | | Synonyms: | 1,3,6,8-tetrahydroxynaphthalene | | Definition date: | 2023-08-30 | | Last modified: | 2024-03-08 | | Release date: | 2024-03-13 | | Identifier: | naphthalene-1,3,6,8-tetrol |
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 | | OD0 | | Name: | (1~{S},2~{R},3~{S},6~{S})-6-fluoranylcyclohex-4-ene-1,2,3-triol | | Formula: | C6 H9 F O3 | | SMILES: | O[CH]1C=C[CH](F)[CH](O)[CH]1O | | InChi: | InChI=1S/C6H9FO3/c7-3-1-2-4(8)6(10)5(3)9/h1-6,8-10H/t3-,4-,5+,6+/m0/s1 | | Definition date: | 2022-09-05 | | Last modified: | 2024-03-08 | | Release date: | 2024-03-13 | | Identifier: | (1~{S},2~{R},3~{S},6~{S})-6-fluoranylcyclohex-4-ene-1,2,3-triol |
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 | | OIW | | Name: | (2~{S},3~{S},4~{R})-cyclohex-5-ene-1,2,3,4-tetrol | | Formula: | C6 H10 O4 | | SMILES: | O[CH]1C=C[CH](O)[CH](O)[CH]1O | | InChi: | InChI=1S/C6H10O4/c7-3-1-2-4(8)6(10)5(3)9/h1-10H/t3-,4+,5-,6-/m0/s1 | | Synonyms: | D-carbaxylosyl chloride | | Definition date: | 2022-09-08 | | Last modified: | 2024-03-08 | | Release date: | 2024-03-13 | | Identifier: | (1~{S},2~{S},3~{S},4~{R})-cyclohex-5-ene-1,2,3,4-tetrol |
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 | | OIZ | | Name: | (1~{S},2~{R},3~{S},6~{S})-6-chloranylcyclohex-4-ene-1,2,3-triol | | Formula: | C6 H9 Cl O3 | | SMILES: | O[CH]1C=C[CH](Cl)[CH](O)[CH]1O | | InChi: | InChI=1S/C6H9ClO3/c7-3-1-2-4(8)6(10)5(3)9/h1-6,8-10H/t3-,4-,5+,6+/m0/s1 | | Synonyms: | L-carbaxylosyl chloride | | Definition date: | 2022-09-08 | | Last modified: | 2024-03-08 | | Release date: | 2024-03-13 | | Identifier: | (1~{S},2~{R},3~{S},6~{S})-6-chloranylcyclohex-4-ene-1,2,3-triol |
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 | | OJ6 | | Name: | (1~{S},2~{S},3~{S},4~{R})-cyclohexane-1,2,3,4-tetrol | | Formula: | | | SMILES: | O[CH]1CC[CH](O)[CH](O)[CH]1O | | InChi: | InChI=1S/C6H12O4/c7-3-1-2-4(8)6(10)5(3)9/h3-10H,1-2H2/t3-,4+,5-,6-/m0/s1 | | Definition date: | 2022-09-08 | | Last modified: | 2024-03-08 | | Release date: | 2024-03-13 | | Identifier: | (1~{S},2~{S},3~{S},4~{R})-cyclohexane-1,2,3,4-tetrol |
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 | | U56 | | Name: | N-hydroxycytidine | | Formula: | C9 H13 N3 O6 | | SMILES: | ONC1=NC(=O)N(C=C1)C1OC(CO)C(O)C1O | | InChi: | InChI=1S/C9H13N3O6/c13-3-4-6(14)7(15)8(18-4)12-2-1-5(11-17)10-9(12)16/h1-2,4,6-8,13-15,17H,3H2,(H,10,11,16)/t4-,6-,7-,8-/m1/s1 | | Definition date: | 2023-08-30 | | Last modified: | 2024-03-08 | | Release date: | 2024-03-13 | | Identifier: | N-hydroxycytidine |
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 | | U7I | | Name: | 2'-deoxy-2'-fluoro-2'-methyluridine | | Formula: | C10 H13 F N2 O5 | | SMILES: | O=C1NC(=O)N(C=C1)C1OC(CO)C(O)C1(C)F | | InChi: | InChI=1S/C10H13FN2O5/c1-10(11)7(16)5(4-14)18-8(10)13-3-2-6(15)12-9(13)17/h2-3,5,7-8,14,16H,4H2,1H3,(H,12,15,17)/t5-,7-,8-,10-/m1/s1 | | Synonyms: | PSI-6206 | | Definition date: | 2023-08-30 | | Last modified: | 2024-03-08 | | Release date: | 2024-03-13 | | Identifier: | 2'-deoxy-2'-fluoro-2'-methyluridine |
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 | | SYI | | Name: | 6-[diethylcarbamoyl(methyl)amino]-N-(1-methyl-1,2,3,4-tetrazol-5-yl)-2-(trifluoromethyl)pyridine-3-carboxamide | | Formula: | C15 H19 F3 N8 O2 | | SMILES: | CCN(CC)C(=O)N(C)c1ccc(C(=O)Nc2nnnn2C)c(n1)C(F)(F)F | | InChi: | InChI=1S/C15H19F3N8O2/c1-5-26(6-2)14(28)24(3)10-8-7-9(11(19-10)15(16,17)18)12(27)20-13-21-22-23-25(13)4/h7-8H,5-6H2,1-4H3,(H,20,21,23,27) | | Definition date: | 2023-04-19 | | Last modified: | 2024-03-08 | | Release date: | 2024-03-13 | | Identifier: | 6-[diethylcarbamoyl(methyl)amino]-~{N}-(1-methyl-1,2,3,4-tetrazol-5-yl)-2-(trifluoromethyl)pyridine-3-carboxamide |
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 | | V7R | | Name: | 4-azanyl-~{N}-(4-oxidanylcyclohexyl)benzenesulfonamide | | Formula: | C12 H18 N2 O3 S | | SMILES: | Nc1ccc(cc1)[S](=O)(=O)N[CH]2CC[CH](O)CC2 | | InChi: | InChI=1S/C12H18N2O3S/c13-9-1-7-12(8-2-9)18(16,17)14-10-3-5-11(15)6-4-10/h1-2,7-8,10-11,14-15H,3-6,13H2/t10-,11- | | Definition date: | 2023-02-24 | | Last modified: | 2024-03-08 | | Release date: | 2024-03-13 | | Identifier: | 4-azanyl-~{N}-(4-oxidanylcyclohexyl)benzenesulfonamide |
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 | | VB0 | | Name: | 5-(2-cyclopropylethynyl)-6-(2-fluorophenyl)pyrimidine-2,4-diamine | | Formula: | C15 H13 F N4 | | SMILES: | Nc1nc(N)c(C#CC2CC2)c(n1)c3ccccc3F | | InChi: | InChI=1S/C15H13FN4/c16-12-4-2-1-3-10(12)13-11(8-7-9-5-6-9)14(17)20-15(18)19-13/h1-4,9H,5-6H2,(H4,17,18,19,20) | | Definition date: | 2023-03-01 | | Last modified: | 2024-03-08 | | Release date: | 2024-03-13 | | Identifier: | 5-(2-cyclopropylethynyl)-6-(2-fluorophenyl)pyrimidine-2,4-diamine |
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 | | VBJ | | Name: | ~{N}-[3-[2,6-bis(azanyl)-5-(2-cyclopropylethynyl)pyrimidin-4-yl]phenyl]methanesulfonamide | | Formula: | C16 H17 N5 O2 S | | SMILES: | C[S](=O)(=O)Nc1cccc(c1)c2nc(N)nc(N)c2C#CC3CC3 | | InChi: | InChI=1S/C16H17N5O2S/c1-24(22,23)21-12-4-2-3-11(9-12)14-13(8-7-10-5-6-10)15(17)20-16(18)19-14/h2-4,9-10,21H,5-6H2,1H3,(H4,17,18,19,20) | | Definition date: | 2023-03-01 | | Last modified: | 2024-03-08 | | Release date: | 2024-03-13 | | Identifier: | ~{N}-[3-[2,6-bis(azanyl)-5-(2-cyclopropylethynyl)pyrimidin-4-yl]phenyl]methanesulfonamide |
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 | | VF6 | | Name: | ~{N}-[4-[2,6-bis(azanyl)-5-(2-cyclopropylethyl)pyrimidin-4-yl]phenyl]ethanamide | | Formula: | C17 H21 N5 O | | SMILES: | CC(=O)Nc1ccc(cc1)c2nc(N)nc(N)c2CCC3CC3 | | InChi: | InChI=1S/C17H21N5O/c1-10(23)20-13-7-5-12(6-8-13)15-14(9-4-11-2-3-11)16(18)22-17(19)21-15/h5-8,11H,2-4,9H2,1H3,(H,20,23)(H4,18,19,21,22) | | Definition date: | 2023-03-06 | | Last modified: | 2024-03-08 | | Release date: | 2024-03-13 | | Identifier: | ~{N}-[4-[2,6-bis(azanyl)-5-(2-cyclopropylethyl)pyrimidin-4-yl]phenyl]ethanamide |
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 | | VFF | | Name: | methyl 4-[2,6-bis(azanyl)-5-(2-cyclopropylethynyl)pyrimidin-4-yl]benzoate | | Formula: | C17 H16 N4 O2 | | SMILES: | COC(=O)c1ccc(cc1)c2nc(N)nc(N)c2C#CC3CC3 | | InChi: | InChI=1S/C17H16N4O2/c1-23-16(22)12-7-5-11(6-8-12)14-13(9-4-10-2-3-10)15(18)21-17(19)20-14/h5-8,10H,2-3H2,1H3,(H4,18,19,20,21) | | Definition date: | 2023-03-06 | | Last modified: | 2024-03-08 | | Release date: | 2024-03-13 | | Identifier: | methyl 4-[2,6-bis(azanyl)-5-(2-cyclopropylethynyl)pyrimidin-4-yl]benzoate |
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 | | VFU | | Name: | 5-[(~{E})-2-cyclopropylethenyl]-6-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine | | Formula: | C16 H15 F3 N4 | | SMILES: | Nc1nc(N)c(C=CC2CC2)c(n1)c3ccc(cc3)C(F)(F)F | | InChi: | InChI=1S/C16H15F3N4/c17-16(18,19)11-6-4-10(5-7-11)13-12(8-3-9-1-2-9)14(20)23-15(21)22-13/h3-9H,1-2H2,(H4,20,21,22,23)/b8-3+ | | Definition date: | 2023-03-06 | | Last modified: | 2024-03-08 | | Release date: | 2024-03-13 | | Identifier: | 5-[(~{E})-2-cyclopropylethenyl]-6-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine |
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 | | VH6 | | Name: | Plerixafor | | Formula: | C28 H54 N8 | | SMILES: | C1NCCCNCCN(Cc2ccc(CN3CCCNCCNCCCNCC3)cc2)CCCNC1 | | InChi: | InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2 | | Synonyms: | 1,1'-[1,4-phenylenebis(methylene)]bis(1,4,8,11-tetraazacyclotetradecane) | | Definition date: | 2023-09-12 | | Last modified: | 2024-03-08 | | Release date: | 2024-03-13 | | Identifier: | 1,1'-[1,4-phenylenebis(methylene)]bis(1,4,8,11-tetraazacyclotetradecane) |
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 | | WK2 | | Name: | (7M)-4-methyl-7-(4-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)quinolin-2-amine | | Formula: | C20 H21 N3 O | | SMILES: | Nc1nc2cc(ccc2c(C)c1)c1ccc2OCCN(C)Cc2c1 | | InChi: | InChI=1S/C20H21N3O/c1-13-9-20(21)22-18-11-15(3-5-17(13)18)14-4-6-19-16(10-14)12-23(2)7-8-24-19/h3-6,9-11H,7-8,12H2,1-2H3,(H2,21,22) | | Definition date: | 2023-10-05 | | Last modified: | 2024-03-08 | | Release date: | 2024-03-13 | | Identifier: | (7M)-4-methyl-7-(4-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)quinolin-2-amine |
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 | | WRI | | Name: | (7M)-7-[(9S)-9-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]-4-methylquinolin-2-amine | | Formula: | C21 H23 N3 | | SMILES: | NC1CCCCc2ccc(cc21)c1cc2nc(N)cc(C)c2cc1 | | InChi: | InChI=1S/C21H23N3/c1-13-10-21(23)24-20-12-16(8-9-17(13)20)15-7-6-14-4-2-3-5-19(22)18(14)11-15/h6-12,19H,2-5,22H2,1H3,(H2,23,24)/t19-/m0/s1 | | Definition date: | 2023-10-10 | | Last modified: | 2024-03-08 | | Release date: | 2024-03-13 | | Identifier: | (7M)-7-[(9S)-9-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]-4-methylquinolin-2-amine |
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