General Information of the Compound
| Compound ID |
CP0450873
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| Compound Name |
3-oxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-phenylphenyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide
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| Structure |
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| Formula |
C28H28N4O2
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| Molecular Weight |
452.558
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| Canonical SMILES |
O=C(Nc1ccccc1-c1ccccc1)N1CCN2C(CN([C@H]3C[C@@H]3c3ccccc3)C2=O)C1
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| InChI |
InChI=1S/C28H28N4O2/c33-27(29-25-14-8-7-13-23(25)20-9-3-1-4-10-20)30-15-16-31-22(18-30)19-32(28(31)34)26-17-24(26)21-11-5-2-6-12-21/h1-14,22,24,26H,15-19H2,(H,29,33)/t22?,24-,26+/m1/s1
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| InChIKey |
JIYIQLIPEXXMKB-JSEKMOOESA-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