General Information of the Compound
Compound ID
CP0449445
Compound Name
2-chloro-N-(4-(5-isobutyramido-1H-benzo[d]imidazol-2-yl)phenyl)benzamide
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Structure
Formula
C24H21ClN4O2
Molecular Weight
432.911
Canonical SMILES
CC(C)C(=O)Nc1ccc2nc([nH]c2c1)-c1ccc(NC(=O)c2ccccc2Cl)cc1
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InChI
InChI=1S/C24H21ClN4O2/c1-14(2)23(30)27-17-11-12-20-21(13-17)29-22(28-20)15-7-9-16(10-8-15)26-24(31)18-5-3-4-6-19(18)25/h3-14H,1-2H3,(H,26,31)(H,27,30)(H,28,29)
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InChIKey
XCOFCEWPEWTFOM-UHFFFAOYSA-N
Physicochemical Property
logP
5.7301
Rotatable Bonds
5
Heavy Atom Count
31
Polar Areas
86.88
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
31

"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: 44416501
ChEMBL ID
CHEMBL213426
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: PT06119, Photoreceptor-specific nuclear receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 147 nM
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