General Information of the Compound
Compound ID
CP0449443
Compound Name
2-chloro-N-(4-(5-(1-phenylcyclopropanecarboxamido)-1H-benzo[d]imidazol-2-yl)phenyl)benzamide
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Structure
Formula
C30H23ClN4O2
Molecular Weight
506.993
Canonical SMILES
Clc1ccccc1C(=O)Nc1ccc(cc1)-c1nc2ccc(NC(=O)C3(CC3)c3ccccc3)cc2[nH]1
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InChI
InChI=1S/C30H23ClN4O2/c31-24-9-5-4-8-23(24)28(36)32-21-12-10-19(11-13-21)27-34-25-15-14-22(18-26(25)35-27)33-29(37)30(16-17-30)20-6-2-1-3-7-20/h1-15,18H,16-17H2,(H,32,36)(H,33,37)(H,34,35)
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InChIKey
LOHXCMOSJQRMDT-UHFFFAOYSA-N
Physicochemical Property
logP
6.8059
Rotatable Bonds
6
Heavy Atom Count
37
Polar Areas
86.88
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
37

"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: 44416406
ChEMBL ID
CHEMBL214562
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 = 370 nM
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