General Information of the Compound
Compound ID
CP0499492
Compound Name
2-chloro-N-(4-(5-(cyclopentanecarboxamido)-1H-benzo[d]imidazol-2-yl)phenyl)benzamide
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Structure
Formula
C26H23ClN4O2
Molecular Weight
458.949
Canonical SMILES
Clc1ccccc1C(=O)Nc1ccc(cc1)-c1nc2ccc(NC(=O)C3CCCC3)cc2[nH]1
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InChI
InChI=1S/C26H23ClN4O2/c27-21-8-4-3-7-20(21)26(33)28-18-11-9-16(10-12-18)24-30-22-14-13-19(15-23(22)31-24)29-25(32)17-5-1-2-6-17/h3-4,7-15,17H,1-2,5-6H2,(H,28,33)(H,29,32)(H,30,31)
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InChIKey
SVNZONKBEHMWAA-UHFFFAOYSA-N
Physicochemical Property
logP
6.2643
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: 44416423
ChEMBL ID
CHEMBL424715
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 = 1320 nM
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