General Information of the Compound
Compound ID
CP0510220
Compound Name
2-(4-methoxyphenyl)-3-(4-phenoxyphenyl)-1,2-dihydroquinazolin-4-one
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Structure
Formula
C27H22N2O3
Molecular Weight
422.484
Canonical SMILES
COc1ccc(cc1)C1Nc2ccccc2C(=O)N1c1ccc(Oc2ccccc2)cc1
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InChI
InChI=1S/C27H22N2O3/c1-31-21-15-11-19(12-16-21)26-28-25-10-6-5-9-24(25)27(30)29(26)20-13-17-23(18-14-20)32-22-7-3-2-4-8-22/h2-18,26,28H,1H3
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InChIKey
HWXGAXSEGKMXEC-UHFFFAOYSA-N
Physicochemical Property
logP
6.2586
Rotatable Bonds
5
Heavy Atom Count
32
Polar Areas
50.8
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
32

"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).

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PubChem ID
CID: 4363326
ChEMBL ID
CHEMBL222687
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
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01546, ATP-dependent translocase ABCB1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000253 CCRF/VCR1000 Homo sapiens (Human)  1
1
EC50 = 1000 nM
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