General Information of the Compound
Compound ID
CP0385854
Compound Name
[6-cyclopropyl-1-(2,4-dichlorophenyl)-4H-indeno[1,2-c]pyrazol-3-yl]-piperidin-1-ylmethanone
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Structure
Formula
C25H23Cl2N3O
Molecular Weight
452.385
Canonical SMILES
Clc1ccc(c(Cl)c1)-n1nc(C(=O)N2CCCCC2)c2Cc3cc(ccc3-c12)C1CC1
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InChI
InChI=1S/C25H23Cl2N3O/c26-18-7-9-22(21(27)14-18)30-24-19-8-6-16(15-4-5-15)12-17(19)13-20(24)23(28-30)25(31)29-10-2-1-3-11-29/h6-9,12,14-15H,1-5,10-11,13H2
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InChIKey
ROZQDKPANZDCLF-UHFFFAOYSA-N
Physicochemical Property
logP
6.2538
Rotatable Bonds
3
Heavy Atom Count
31
Polar Areas
38.13
Hydrogen Bond Donor Count
0
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: 127032540
ChEMBL ID
CHEMBL3780282
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 > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000065 HEK293-EBNA Homo sapiens (Human)  1
1
Ki = 414 nM
   TI
   LI
   LO
   TS