General Information of the Compound
| Compound ID |
CP0851875
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| Compound Name |
(S)-N-(2,6-dichloro-4-(methylsulfonyl)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 |
C23H22Cl2N4O5S
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| Molecular Weight |
537.425
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| Canonical SMILES |
CS(=O)(=O)c1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c(Cl)c1
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| InChI |
InChI=1S/C23H22Cl2N4O5S/c1-35(33,34)14-9-16(24)20(17(25)10-14)26-22(31)27-7-8-28-19(12-27)21(30)29(23(28)32)18-11-15(18)13-5-3-2-4-6-13/h2-6,9-10,15,18-19H,7-8,11-12H2,1H3,(H,26,31)/t15-,18+,19+/m1/s1
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| InChIKey |
NHMANSSYHODKLI-MNEFBYGVSA-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