General Information of the Compound
Compound ID
CP0515818
Compound Name
2-chloro-N-(4-(5-(cyclopropanecarboxamido)-1H-benzo[d]imidazol-2-yl)phenyl)benzamide
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Structure
Formula
C24H19ClN4O2
Molecular Weight
430.895
Canonical SMILES
Clc1ccccc1C(=O)Nc1ccc(cc1)-c1nc2ccc(NC(=O)C3CC3)cc2[nH]1
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InChI
InChI=1S/C24H19ClN4O2/c25-19-4-2-1-3-18(19)24(31)26-16-9-7-14(8-10-16)22-28-20-12-11-17(13-21(20)29-22)27-23(30)15-5-6-15/h1-4,7-13,15H,5-6H2,(H,26,31)(H,27,30)(H,28,29)
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InChIKey
URTBMZWXWYUQAM-UHFFFAOYSA-N
Physicochemical Property
logP
5.4841
Rotatable Bonds
5
Heavy Atom Count
31
Polar Areas
86.88
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
31

"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: 16046196
SID: 24432261
ChEMBL ID
CHEMBL386138
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 = 35 nM
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