General Information of the Compound
| Compound ID |
CP0196915
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| Compound Name |
4-[8-amino-3-[(1R,3S)-3-(2H-tetrazol-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 |
C26H23F3N10O
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| Molecular Weight |
548.533
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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)c1nn[nH]n1
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| InChI |
InChI=1S/C26H23F3N10O/c27-26(28,29)18-8-9-31-19(13-18)33-25(40)15-6-4-14(5-7-15)20-21-22(30)32-10-11-39(21)24(34-20)17-3-1-2-16(12-17)23-35-37-38-36-23/h4-11,13,16-17H,1-3,12H2,(H2,30,32)(H,31,33,40)(H,35,36,37,38)/t16-,17+/m0/s1
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| InChIKey |
RXVKEZFYFGKLSQ-DLBZAZTESA-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