General Information of the Compound
Compound ID
CP0413730
Compound Name
5-chloro-N-[2-(3,4-dichlorophenyl)ethyl]-3-ethyl-1H-indole-2-carboxamide
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Structure
Formula
C19H17Cl3N2O
Molecular Weight
395.717
Canonical SMILES
CCc1c([nH]c2ccc(Cl)cc12)C(=O)NCCc1ccc(Cl)c(Cl)c1
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InChI
InChI=1S/C19H17Cl3N2O/c1-2-13-14-10-12(20)4-6-17(14)24-18(13)19(25)23-8-7-11-3-5-15(21)16(22)9-11/h3-6,9-10,24H,2,7-8H2,1H3,(H,23,25)
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InChIKey
FCVSHSNEIJRSAD-UHFFFAOYSA-N
Physicochemical Property
logP
5.663
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
44.89
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
Complexity
25

"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: 118728586
ChEMBL ID
CHEMBL3401607
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
CL000076 CHO/Galpha16 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 2170 nM
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