General Information of the Compound
| Compound ID |
CP0562809
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| Compound Name |
4-[8-amino-3-[(3R,6S)-1-(3-hydroxy-2,2-dimethylpropanoyl)-6-methylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
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| Formula |
C30H31F4N7O3
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| Molecular Weight |
613.616
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| Canonical SMILES |
C[C@H]1CC[C@H](CN1C(=O)C(C)(C)CO)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
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| InChI |
InChI=1S/C30H31F4N7O3/c1-16-4-5-18(14-41(16)28(44)29(2,3)15-42)26-39-23(24-25(35)37-10-11-40(24)26)20-7-6-17(12-21(20)31)27(43)38-22-13-19(8-9-36-22)30(32,33)34/h6-13,16,18,42H,4-5,14-15H2,1-3H3,(H2,35,37)(H,36,38,43)/t16-,18+/m0/s1
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| InChIKey |
QWDLFQZYNXUQJO-FUHWJXTLSA-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