General Information of the Compound
| Compound ID |
CP0562980
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| Compound Name |
4-[8-amino-3-[(1R,3S)-3-(1H-1,2,4-triazol-5-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
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| Structure |
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| Formula |
C27H24F3N9O
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| Molecular Weight |
547.545
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| Canonical SMILES |
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCC[C@@H](C1)c1nnc[nH]1
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| InChI |
InChI=1S/C27H24F3N9O/c28-27(29,30)19-8-9-32-20(13-19)36-26(40)16-6-4-15(5-7-16)21-22-23(31)33-10-11-39(22)25(37-21)18-3-1-2-17(12-18)24-34-14-35-38-24/h4-11,13-14,17-18H,1-3,12H2,(H2,31,33)(H,32,36,40)(H,34,35,38)/t17-,18+/m0/s1
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| InChIKey |
DXCPJOXOIRMELN-ZWKOTPCHSA-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