General Information of the Compound
| Compound ID |
CP0450926
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| Compound Name |
3-benzyl-2-[4-methoxy-3-(phenoxymethyl)phenyl]-1,2-dihydroquinazolin-4-one
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| Structure |
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| Formula |
C29H26N2O3
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| Molecular Weight |
450.538
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| Canonical SMILES |
COc1ccc(cc1COc1ccccc1)C1Nc2ccccc2C(=O)N1Cc1ccccc1
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| InChI |
InChI=1S/C29H26N2O3/c1-33-27-17-16-22(18-23(27)20-34-24-12-6-3-7-13-24)28-30-26-15-9-8-14-25(26)29(32)31(28)19-21-10-4-2-5-11-21/h2-18,28,30H,19-20H2,1H3
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| InChIKey |
JPMHOACSNJKJJJ-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