General Information of the Compound
| Compound ID |
CP0323446
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| Compound Name |
3-[8-amino-1-(4-{[4- (trifluoromethyl) pyridin-2- yl]carbamoyl}phenyl) imidazo[1,5-a]pyrazin- 3- yl]bicyclo[1.1.1] pentane-1-carboxylic acid
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| Structure |
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| Formula |
C25H19F3N6O3
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| Molecular Weight |
508.46
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| Canonical SMILES |
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C12CC(C1)(C2)C(O)=O
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| InChI |
InChI=1S/C25H19F3N6O3/c26-25(27,28)15-5-6-30-16(9-15)32-20(35)14-3-1-13(2-4-14)17-18-19(29)31-7-8-34(18)21(33-17)23-10-24(11-23,12-23)22(36)37/h1-9H,10-12H2,(H2,29,31)(H,36,37)(H,30,32,35)
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| InChIKey |
JXAWBJQIPMEGIM-UHFFFAOYSA-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