General Information of the Compound
Compound ID
CP0499493
Compound Name
2-chloro-N-(4-(5-(2-chlorobenzamido)-1H-benzo[d]imidazol-2-yl)phenyl)nicotinamide
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Structure
Formula
C26H17Cl2N5O2
Molecular Weight
502.361
Canonical SMILES
Clc1ccccc1C(=O)Nc1ccc2nc([nH]c2c1)-c1ccc(NC(=O)c2cccnc2Cl)cc1
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InChI
InChI=1S/C26H17Cl2N5O2/c27-20-6-2-1-4-18(20)25(34)31-17-11-12-21-22(14-17)33-24(32-21)15-7-9-16(10-8-15)30-26(35)19-5-3-13-29-23(19)28/h1-14H,(H,30,35)(H,31,34)(H,32,33)
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InChIKey
YWJAPPQRDYDOGQ-UHFFFAOYSA-N
Physicochemical Property
logP
6.4363
Rotatable Bonds
5
Heavy Atom Count
35
Polar Areas
99.77
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
35

"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: 44416476
ChEMBL ID
CHEMBL384232
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 = 2200 nM
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