General Information of the Compound
Compound ID
CP0387219
Compound Name
5-chloro-N-[2-[4-(dipropylamino)phenyl]ethyl]-3-ethyl-1H-indole-2-carboxamide
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Structure
Formula
C25H32ClN3O
Molecular Weight
426.004
Canonical SMILES
CCCN(CCC)c1ccc(CCNC(=O)c2[nH]c3ccc(Cl)cc3c2CC)cc1
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InChI
InChI=1S/C25H32ClN3O/c1-4-15-29(16-5-2)20-10-7-18(8-11-20)13-14-27-25(30)24-21(6-3)22-17-19(26)9-12-23(22)28-24/h7-12,17,28H,4-6,13-16H2,1-3H3,(H,27,30)
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InChIKey
SFOOAURLLXPPBE-UHFFFAOYSA-N
Physicochemical Property
logP
5.9826
Rotatable Bonds
10
Heavy Atom Count
30
Polar Areas
48.13
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
30

"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: 118727850
ChEMBL ID
CHEMBL3400534
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 = 1800 nM
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