General Information of the Compound
Compound ID
CP0870663
Compound Name
N'-(1-benzyl-2-oxoindolin-3-ylidene)benzohydrazide
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Formula
C22H17N3O2
Molecular Weight
355.397
Canonical SMILES
O=C(N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21)c1ccccc1
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InChI
InChI=1S/C22H17N3O2/c26-21(17-11-5-2-6-12-17)24-23-20-18-13-7-8-14-19(18)25(22(20)27)15-16-9-3-1-4-10-16/h1-14H,15H2,(H,24,26)/b23-20-
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InChIKey
AKJVDQMMJDIJGQ-ATJXCDBQSA-N
Physicochemical Property
logP
3.3675
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
61.77
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
27

"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
SID: 56384435
ChEMBL ID
CHEMBL456535
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 630.96 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 63.7 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 18.5 nM
   TI
   LI
   LO
   TS