General Information of the Compound
Compound ID
CP0490714
Compound Name
N-cyclopropyl-N-[2-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]cyclopentanecarboxamide
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Structure
Formula
C29H31N3O2
Molecular Weight
453.586
Canonical SMILES
Cc1ccc(cc1)C1N(C(=O)CN(C2CC2)C(=O)C2CCCC2)c2ccccc2-n2cccc12
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InChI
InChI=1S/C29H31N3O2/c1-20-12-14-21(15-13-20)28-26-11-6-18-30(26)24-9-4-5-10-25(24)32(28)27(33)19-31(23-16-17-23)29(34)22-7-2-3-8-22/h4-6,9-15,18,22-23,28H,2-3,7-8,16-17,19H2,1H3
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InChIKey
XLVXILUFDUMZFD-UHFFFAOYSA-N
Physicochemical Property
logP
5.40292
Rotatable Bonds
5
Heavy Atom Count
34
Polar Areas
45.55
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
34

"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: 4346308
ChEMBL ID
CHEMBL550309
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
Ki = 520 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
Ki = 10000 nM
   TI
   LI
   LO
   TS