General Information of the Compound
Compound ID
CP0449444
Compound Name
2-chloro-N-(4-(5-(2,2-difluorocyclopropanecarboxamido)-1H-benzo[d]imidazol-2-yl)phenyl)benzamide
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Structure
Formula
C24H17ClF2N4O2
Molecular Weight
466.875
Canonical SMILES
FC1(F)CC1C(=O)Nc1ccc2nc([nH]c2c1)-c1ccc(NC(=O)c2ccccc2Cl)cc1
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InChI
InChI=1S/C24H17ClF2N4O2/c25-18-4-2-1-3-16(18)22(32)28-14-7-5-13(6-8-14)21-30-19-10-9-15(11-20(19)31-21)29-23(33)17-12-24(17,26)27/h1-11,17H,12H2,(H,28,32)(H,29,33)(H,30,31)
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InChIKey
YYBRDJACMSSFST-UHFFFAOYSA-N
Physicochemical Property
logP
5.7293
Rotatable Bonds
5
Heavy Atom Count
33
Polar Areas
86.88
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
33

"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: 44416477
ChEMBL ID
CHEMBL214457
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 = 3000 nM
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