General Information of the Compound
| Compound ID |
CP0207023
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| Compound Name |
4-(8-amino-3-((trans)-3-isobutyramidocyclohexyl) imidazo [1,5-a]pyrazin-1-yl)-N-(4-(trifluoromethyl)pyridin-2-yl)benzamide
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| Structure |
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| Formula |
C30H30F3N7O3
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| Molecular Weight |
593.61
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| Canonical SMILES |
CC1(COC1)C(=O)N[C@@H]1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
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| InChI |
InChI=1S/C30H30F3N7O3/c1-29(15-43-16-29)28(42)37-21-4-2-3-19(13-21)26-39-23(24-25(34)36-11-12-40(24)26)17-5-7-18(8-6-17)27(41)38-22-14-20(9-10-35-22)30(31,32)33/h5-12,14,19,21H,2-4,13,15-16H2,1H3,(H2,34,36)(H,37,42)(H,35,38,41)/t19-,21-/m1/s1
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| InChIKey |
HZDBEXIKODAUAJ-TZIWHRDSSA-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