General Information of the Compound
| Compound ID |
CP0572204
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| Compound Name |
4-[8-amino-3-[(3R,6S)-6-methyl-1-(5-methyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
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| Formula |
C30H26F4N8O3
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| Molecular Weight |
622.583
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| Canonical SMILES |
C[C@H]1CC[C@H](CN1C(=O)c1cnoc1C)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
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| InChI |
InChI=1S/C30H26F4N8O3/c1-15-3-4-18(14-42(15)29(44)21-13-38-45-16(21)2)27-40-24(25-26(35)37-9-10-41(25)27)20-6-5-17(11-22(20)31)28(43)39-23-12-19(7-8-36-23)30(32,33)34/h5-13,15,18H,3-4,14H2,1-2H3,(H2,35,37)(H,36,39,43)/t15-,18+/m0/s1
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| InChIKey |
QJTRQQWAHUHDLU-MAUKXSAKSA-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