General Information of the Compound
Compound ID
CP0569851
Compound Name
6-chloro-3-[1-(3,4-dichlorophenyl)-4,5-diphenylimidazol-2-yl]-7-methylchromen-4-one
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Formula
C31H19Cl3N2O2
Molecular Weight
557.864
Canonical SMILES
Cc1cc2occ(-c3nc(c(-c4ccccc4)n3-c3ccc(Cl)c(Cl)c3)-c3ccccc3)c(=O)c2cc1Cl
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InChI
InChI=1S/C31H19Cl3N2O2/c1-18-14-27-22(16-25(18)33)30(37)23(17-38-27)31-35-28(19-8-4-2-5-9-19)29(20-10-6-3-7-11-20)36(31)21-12-13-24(32)26(34)15-21/h2-17H,1H3
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InChIKey
XNUWMPOQRIYTDT-UHFFFAOYSA-N
Physicochemical Property
logP
9.24832
Rotatable Bonds
4
Heavy Atom Count
38
Polar Areas
48.03
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
38

"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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ChEMBL ID
CHEMBL4869150
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: PT01218, DNA topoisomerase 2-alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000073 A-498 Homo sapiens (Human)  1
1
IC50 = 39880 nM
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