General Information of the Compound
| Compound ID |
CP0568431
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| Compound Name |
4-[3-[(7R,9aS)-2-methyl-4-oxo-3,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-7-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-fluoro-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
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| Formula |
C28H26F4N8O2
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| Molecular Weight |
582.562
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| Canonical SMILES |
CN1C[C@@H]2CC[C@H](CN2C(=O)C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
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| InChI |
InChI=1S/C28H26F4N8O2/c1-38-13-18-4-2-16(12-40(18)22(41)14-38)26-37-23(24-25(33)35-8-9-39(24)26)19-5-3-15(10-20(19)29)27(42)36-21-11-17(6-7-34-21)28(30,31)32/h3,5-11,16,18H,2,4,12-14H2,1H3,(H2,33,35)(H,34,36,42)/t16-,18+/m1/s1
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| InChIKey |
HBUDLVLRHNAKJG-AEFFLSMTSA-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