General Information of the Compound
| Compound ID |
CP0923168
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| Compound Name |
rac-N-(2,6-dichloro-4-(trifluoromethyl)phenyl)-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 |
C23H19Cl2F3N4O3
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| Molecular Weight |
527.33
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| Canonical SMILES |
O=C(Nc1c(Cl)cc(C(F)(F)F)cc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1
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| InChI |
InChI=1S/C23H19Cl2F3N4O3/c24-15-8-13(23(26,27)28)9-16(25)19(15)29-21(34)30-6-7-31-18(11-30)20(33)32(22(31)35)17-10-14(17)12-4-2-1-3-5-12/h1-5,8-9,14,17-18H,6-7,10-11H2,(H,29,34)/t14-,17+,18?/m1/s1
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| InChIKey |
BTJFGRNOJXCMMX-NAVMLSPISA-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