General Information of the Compound
Compound ID
CP0380713
Compound Name
5-chloro-N-[2-(4-nitrophenyl)ethyl]-1H-indole-2-carboxamide
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Structure
Formula
C17H14ClN3O3
Molecular Weight
343.77
Canonical SMILES
[O-][N+](=O)c1ccc(CCNC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1
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InChI
InChI=1S/C17H14ClN3O3/c18-13-3-6-15-12(9-13)10-16(20-15)17(22)19-8-7-11-1-4-14(5-2-11)21(23)24/h1-6,9-10,20H,7-8H2,(H,19,22)
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InChIKey
ZLSXSVZUOHCGHA-UHFFFAOYSA-N
Physicochemical Property
logP
3.702
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
88.03
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 60156024
SID: 144087102
ChEMBL ID
CHEMBL2071072
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