General Information of the Compound
| Compound ID |
CP0526056
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| Compound Name |
2-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-1,2-dihydroquinazolin-4-one
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| Structure |
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| Formula |
C25H24N2O3
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| Molecular Weight |
400.478
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)N1C(Nc2ccccc2C1=O)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C25H24N2O3/c1-25(2,3)17-9-11-18(12-10-17)27-23(16-8-13-21-22(14-16)30-15-29-21)26-20-7-5-4-6-19(20)24(27)28/h4-14,23,26H,15H2,1-3H3
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| InChIKey |
LVTKKCGLRCIEDG-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