General Information of the Compound
| Compound ID |
CP0489152
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| Compound Name |
(3R)-1-[(5aS,9aR)-1-pyridin-2-yl-5,5a,6,8,9,9a-hexahydro-4H-[1,2,4]triazolo[4,3-a][1,6]naphthyridin-7-yl]-3-amino-4-(2,4,5-trifluorophenyl)butan-1-one;hydrochloride
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| Structure |
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| Formula |
C24H26ClF3N6O
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| Molecular Weight |
506.96
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| Canonical SMILES |
Cl.N[C@@H](CC(=O)N1CC[C@@H]2[C@@H](CCc3nnc(-c4ccccn4)n23)C1)Cc1cc(F)c(F)cc1F
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| InChI |
InChI=1S/C24H25F3N6O.ClH/c25-17-12-19(27)18(26)10-15(17)9-16(28)11-23(34)32-8-6-21-14(13-32)4-5-22-30-31-24(33(21)22)20-3-1-2-7-29-20;/h1-3,7,10,12,14,16,21H,4-6,8-9,11,13,28H2;1H/t14-,16+,21+;/m0./s1
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| InChIKey |
VDUODBWXZMZYBX-ASAHSLQZSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound