General Information of the Compound
Compound ID
CP0379509
Compound Name
2-chloro-N-(4-(5-(cyclobutanecarboxamido)-1H-benzo[d]imidazol-2-yl)phenyl)benzamide
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Structure
Formula
C25H21ClN4O2
Molecular Weight
444.922
Canonical SMILES
Clc1ccccc1C(=O)Nc1ccc(cc1)-c1nc2ccc(NC(=O)C3CCC3)cc2[nH]1
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InChI
InChI=1S/C25H21ClN4O2/c26-20-7-2-1-6-19(20)25(32)27-17-10-8-15(9-11-17)23-29-21-13-12-18(14-22(21)30-23)28-24(31)16-4-3-5-16/h1-2,6-14,16H,3-5H2,(H,27,32)(H,28,31)(H,29,30)
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InChIKey
UGUHVOJNAPXDDU-UHFFFAOYSA-N
Physicochemical Property
logP
5.8742
Rotatable Bonds
5
Heavy Atom Count
32
Polar Areas
86.88
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
32

"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: 44416537
ChEMBL ID
CHEMBL214445
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 = 986 nM
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