General Information of the Compound
Compound ID
CP0363373
Compound Name
5-azido-3-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide
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Structure
Formula
C24H28N6O
Molecular Weight
416.529
Canonical SMILES
CCc1c([nH]c2ccc(cc12)N=[N+]=[N-])C(=O)NCCc1ccc(cc1)N1CCCCC1
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InChI
InChI=1S/C24H28N6O/c1-2-20-21-16-18(28-29-25)8-11-22(21)27-23(20)24(31)26-13-12-17-6-9-19(10-7-17)30-14-4-3-5-15-30/h6-11,16,27H,2-5,12-15H2,1H3,(H,26,31)
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InChIKey
UIIHDWBTJXGJBH-UHFFFAOYSA-N
Physicochemical Property
logP
5.6349
Rotatable Bonds
7
Heavy Atom Count
31
Polar Areas
96.89
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
31

"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: 117923262
ChEMBL ID
CHEMBL3758817
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
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  2
1
EC50 = 28.2 nM
   TI
   LI
   LO
   TS
2
EC50 = 389 nM
   TI
   LI
   LO
   TS