General Information of the Compound
| Compound ID |
CP0851895
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| Compound Name |
rac-1,3-dioxo-2-((1S,2R)-2-phenylcyclopropyl)-N-(2-(3-(trifluoromethyl)phenyl)pyridin-3-yl)hexahydroimidazo[1,5-a]pyrazine-7(1H)-carboxamide
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| Structure |
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| Formula |
C28H24F3N5O3
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| Molecular Weight |
535.526
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| Canonical SMILES |
O=C(Nc1cccnc1-c1cccc(C(F)(F)F)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1
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| InChI |
InChI=1S/C28H24F3N5O3/c29-28(30,31)19-9-4-8-18(14-19)24-21(10-5-11-32-24)33-26(38)34-12-13-35-23(16-34)25(37)36(27(35)39)22-15-20(22)17-6-2-1-3-7-17/h1-11,14,20,22-23H,12-13,15-16H2,(H,33,38)/t20-,22+,23?/m1/s1
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| InChIKey |
MMKUQOMGBVUZMS-PTCKQWLISA-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