General Information of the Compound
| Compound ID |
CP0915529
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| Compound Name |
rac-N-(2-chloro-4-cyano-6-methylphenyl)-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 |
C24H22ClN5O3
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| Molecular Weight |
463.925
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| Canonical SMILES |
Cc1cc(C#N)cc(Cl)c1NC(=O)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1
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| InChI |
InChI=1S/C24H22ClN5O3/c1-14-9-15(12-26)10-18(25)21(14)27-23(32)28-7-8-29-20(13-28)22(31)30(24(29)33)19-11-17(19)16-5-3-2-4-6-16/h2-6,9-10,17,19-20H,7-8,11,13H2,1H3,(H,27,32)/t17-,19+,20?/m1/s1
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| InChIKey |
FPOUQJTYZRLOBK-MVGXFMOLSA-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