General Information of the Compound
Compound ID
CP0434520
Compound Name
9-methoxy-2,4,4-trimethyl-7-(2-methyloctan-2-yl)chromeno[4,3-c]pyrazole
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Structure
Formula
C23H34N2O2
Molecular Weight
370.537
Canonical SMILES
CCCCCCC(C)(C)c1cc(OC)c2-c3nn(C)cc3C(C)(C)Oc2c1
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InChI
InChI=1S/C23H34N2O2/c1-8-9-10-11-12-22(2,3)16-13-18(26-7)20-19(14-16)27-23(4,5)17-15-25(6)24-21(17)20/h13-15H,8-12H2,1-7H3
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InChIKey
HCCPRPIMAROCOR-UHFFFAOYSA-N
Physicochemical Property
logP
5.9712
Rotatable Bonds
7
Heavy Atom Count
27
Polar Areas
36.28
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 155559490
ChEMBL ID
CHEMBL4563152
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 = 4159 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 = 66.4 nM
   TI
   LI
   LO
   TS