General Information of the Compound
Compound ID
CP0135102
Compound Name
2-ethyl-9-methoxy-4,4-dimethyl-7-(2-methyloctan-2-yl)chromeno[4,3-c]pyrazole
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Structure
Formula
C24H36N2O2
Molecular Weight
384.564
Canonical SMILES
CCCCCCC(C)(C)c1cc(OC)c2-c3nn(CC)cc3C(C)(C)Oc2c1
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InChI
InChI=1S/C24H36N2O2/c1-8-10-11-12-13-23(3,4)17-14-19(27-7)21-20(15-17)28-24(5,6)18-16-26(9-2)25-22(18)21/h14-16H,8-13H2,1-7H3
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InChIKey
XQFDIPCNDBMEQD-UHFFFAOYSA-N
Physicochemical Property
logP
6.4541
Rotatable Bonds
8
Heavy Atom Count
28
Polar Areas
36.28
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 155519694
ChEMBL ID
CHEMBL4448412
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
CL000065 HEK293-EBNA Homo sapiens (Human)  1
1
Ki = 2930 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 = 92.6 nM
   TI
   LI
   LO
   TS