General Information of the Compound
Compound ID
CP0383427
Compound Name
5-chloro-N-[2-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide
    Show/Hide
Structure
Formula
C17H14Cl2N2O
Molecular Weight
333.218
Canonical SMILES
Clc1ccc(CCNC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1
    Show/Hide
InChI
InChI=1S/C17H14Cl2N2O/c18-13-3-1-11(2-4-13)7-8-20-17(22)16-10-12-9-14(19)5-6-15(12)21-16/h1-6,9-10,21H,7-8H2,(H,20,22)
    Show/Hide
InChIKey
MHZYZWDNQXPCRN-UHFFFAOYSA-N
Physicochemical Property
logP
4.4472
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
44.89
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
Complexity
22

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 16482860
SID: 144087106
ChEMBL ID
CHEMBL2071076
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
EC50 > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS