General Information of the Compound
Compound ID
CP0472557
Compound Name
4-N-[6-[bis(4-chlorophenyl)methyl]cinnolin-4-yl]-1-N-phenylcyclohexane-1,4-diamine
    Show/Hide
Formula
C33H30Cl2N4
Molecular Weight
553.537
Canonical SMILES
Clc1ccc(cc1)C(c1ccc(Cl)cc1)c1ccc2nncc(NC3CCC(CC3)Nc3ccccc3)c2c1
    Show/Hide
InChI
InChI=1S/C33H30Cl2N4/c34-25-11-6-22(7-12-25)33(23-8-13-26(35)14-9-23)24-10-19-31-30(20-24)32(21-36-39-31)38-29-17-15-28(16-18-29)37-27-4-2-1-3-5-27/h1-14,19-21,28-29,33,37H,15-18H2,(H,38,39)
    Show/Hide
InChIKey
NQSYNOBJGHEEQR-UHFFFAOYSA-N
Physicochemical Property
logP
8.952
Rotatable Bonds
7
Heavy Atom Count
39
Polar Areas
49.84
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
39

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
ChEMBL ID
CHEMBL4757109
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
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 99 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
EC50 > 10000 nM
   TI
   LI
   LO
   TS