General Information of the Compound
| Compound ID |
CP0875101
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| Compound Name |
rac-N-(2-chloro-4-fluorophenyl)-1,3-dioxo-2-((1S,2R)-2-phenylcyclopropyl)hexahydroimidazo[1,5-a]pyrazine-7(1H)-carboxamide
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| Structure |
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| Formula |
C22H20ClFN4O3
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| Molecular Weight |
442.878
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| Canonical SMILES |
O=C(Nc1ccc(F)cc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1
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| InChI |
InChI=1S/C22H20ClFN4O3/c23-16-10-14(24)6-7-17(16)25-21(30)26-8-9-27-19(12-26)20(29)28(22(27)31)18-11-15(18)13-4-2-1-3-5-13/h1-7,10,15,18-19H,8-9,11-12H2,(H,25,30)/t15-,18+,19?/m1/s1
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| InChIKey |
FCPAQYVBGTWYRV-XSFKQQOJSA-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