General Information of the Compound
Compound ID
CP0385857
Compound Name
6-cyclohexyl-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4H-indeno[1,2-c]pyrazole-3-carboxamide
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Structure
Formula
C28H30Cl2N4O
Molecular Weight
509.481
Canonical SMILES
Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2Cc3cc(ccc3-c12)C1CCCCC1
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InChI
InChI=1S/C28H30Cl2N4O/c29-21-10-12-25(24(30)17-21)34-27-22-11-9-19(18-7-3-1-4-8-18)15-20(22)16-23(27)26(31-34)28(35)32-33-13-5-2-6-14-33/h9-12,15,17-18H,1-8,13-14,16H2,(H,32,35)
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InChIKey
KZJDOQZRHKPWRO-UHFFFAOYSA-N
Physicochemical Property
logP
6.9287
Rotatable Bonds
4
Heavy Atom Count
35
Polar Areas
50.16
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
35

"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: 127029929
ChEMBL ID
CHEMBL3781351
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 = 509 nM
   TI
   LI
   LO
   TS