General Information of the Compound
Compound ID |
CP0401096
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Compound Name |
N-[4-[[2-methoxy-5-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]methoxy]phenyl]acetamide
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Structure |
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Formula |
C30H27N3O4
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Molecular Weight |
493.563
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Canonical SMILES |
COc1ccc(cc1COc1ccc(NC(C)=O)cc1)C1Nc2ccccc2C(=O)N1c1ccccc1
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InChI |
InChI=1S/C30H27N3O4/c1-20(34)31-23-13-15-25(16-14-23)37-19-22-18-21(12-17-28(22)36-2)29-32-27-11-7-6-10-26(27)30(35)33(29)24-8-4-3-5-9-24/h3-18,29,32H,19H2,1-2H3,(H,31,34)
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InChIKey |
OMJNHHOTHQLHNZ-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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