General Information of the Compound
Compound ID
CP0385855
Compound Name
6-cyclopropyl-1-(2,4-dichlorophenyl)-N-pyrrolidin-1-yl-4H-indeno[1,2-c]pyrazole-3-carboxamide
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Structure
Formula
C24H22Cl2N4O
Molecular Weight
453.373
Canonical SMILES
Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCC2)c2Cc3cc(ccc3-c12)C1CC1
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InChI
InChI=1S/C24H22Cl2N4O/c25-17-6-8-21(20(26)13-17)30-23-18-7-5-15(14-3-4-14)11-16(18)12-19(23)22(27-30)24(31)28-29-9-1-2-10-29/h5-8,11,13-14H,1-4,9-10,12H2,(H,28,31)
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InChIKey
YKEYPBUZXWNTJV-UHFFFAOYSA-N
Physicochemical Property
logP
5.3683
Rotatable Bonds
4
Heavy Atom Count
31
Polar Areas
50.16
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 127031950
ChEMBL ID
CHEMBL3780457
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 = 4211 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 = 152 nM
   TI
   LI
   LO
   TS