General Information of the Compound
Compound ID
CP0526281
Compound Name
2-chloro-N-(2-(1-(4-fluorophenyl)-1H-pyrazol-4-yl)-1H-benzo[d]imidazol-5-yl)benzamide
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Structure
Formula
C23H15ClFN5O
Molecular Weight
431.858
Canonical SMILES
Fc1ccc(cc1)-n1cc(cn1)-c1nc2ccc(NC(=O)c3ccccc3Cl)cc2[nH]1
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InChI
InChI=1S/C23H15ClFN5O/c24-19-4-2-1-3-18(19)23(31)27-16-7-10-20-21(11-16)29-22(28-20)14-12-26-30(13-14)17-8-5-15(25)6-9-17/h1-13H,(H,27,31)(H,28,29)
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InChIKey
PEUHOGMONYOJND-UHFFFAOYSA-N
Physicochemical Property
logP
5.4604
Rotatable Bonds
4
Heavy Atom Count
31
Polar Areas
75.6
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 44416582
ChEMBL ID
CHEMBL384066
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 = 4100 nM
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