General Information of the Compound
| Compound ID |
CP0457548
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| Compound Name |
3-cyclobutyl-1-(2-phenylquinolin-7-yl)-7H-imidazo[1,5-a]pyrazin-8-one
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| Structure |
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| Formula |
C25H20N4O
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| Molecular Weight |
392.462
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| Canonical SMILES |
O=c1[nH]ccn2c(nc(-c3ccc4ccc(nc4c3)-c3ccccc3)c12)C1CCC1
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| InChI |
InChI=1S/C25H20N4O/c30-25-23-22(28-24(18-7-4-8-18)29(23)14-13-26-25)19-10-9-17-11-12-20(27-21(17)15-19)16-5-2-1-3-6-16/h1-3,5-6,9-15,18H,4,7-8H2,(H,26,30)
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| InChIKey |
KMBNBWQPFLAEHE-UHFFFAOYSA-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