General Information of the Compound
Compound ID
CP0493059
Compound Name
2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]imidazole-4-carboxamide
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Structure
Formula
C25H19Cl2N3O2
Molecular Weight
464.352
Canonical SMILES
O[C@H]1[C@H](Cc2ccccc12)NC(=O)c1cn(c(n1)-c1ccccc1Cl)-c1ccc(Cl)cc1
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InChI
InChI=1S/C25H19Cl2N3O2/c26-16-9-11-17(12-10-16)30-14-22(28-24(30)19-7-3-4-8-20(19)27)25(32)29-21-13-15-5-1-2-6-18(15)23(21)31/h1-12,14,21,23,31H,13H2,(H,29,32)/t21-,23+/m0/s1
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InChIKey
BSYJXMRHTYHKRJ-JTHBVZDNSA-N
Physicochemical Property
logP
5.2342
Rotatable Bonds
4
Heavy Atom Count
32
Polar Areas
67.15
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 23398430
ChEMBL ID
CHEMBL395322
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: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 17 nM
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