General Information of the Compound
Compound ID
CP0447415
Compound Name
(7E)-1-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-5,6-dihydro-4H-indazole-3-carboxamide
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Structure
Formula
C28H24Cl2N4O
Molecular Weight
503.433
Canonical SMILES
C[C@@H](NC(=O)c1nn(c2c1CCC\C2=C/c1ccc(Cl)cc1)-c1ccc(Cl)cc1)c1ccccn1
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InChI
InChI=1S/C28H24Cl2N4O/c1-18(25-7-2-3-16-31-25)32-28(35)26-24-6-4-5-20(17-19-8-10-21(29)11-9-19)27(24)34(33-26)23-14-12-22(30)13-15-23/h2-3,7-18H,4-6H2,1H3,(H,32,35)/b20-17+/t18-/m1/s1
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InChIKey
OYBWLARULOQKNZ-GMQRBVGNSA-N
Physicochemical Property
logP
6.942
Rotatable Bonds
5
Heavy Atom Count
35
Polar Areas
59.81
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: 134157891
ChEMBL ID
CHEMBL3986006
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 = 127 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