General Information of the Compound
Compound ID
CP0893315
Compound Name
N-[(3Z)-1-(1-Butyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]benzohydrazide
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Formula
C19H19N3O2
Molecular Weight
321.38
Canonical SMILES
CCCCN1C(=O)/C(=N\NC(=O)c2ccccc2)c2ccccc21
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InChI
InChI=1S/C19H19N3O2/c1-2-3-13-22-16-12-8-7-11-15(16)17(19(22)24)20-21-18(23)14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3,(H,21,23)/b20-17-
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InChIKey
UWHDLFQSPVEAQV-JZJYNLBNSA-N
Physicochemical Property
logP
2.9674
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
61.77
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 56384432
ChEMBL ID
CHEMBL456803
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: 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 = 40.1 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 19.3 nM
   TI
   LI
   LO
   TS