General Information of the Compound
Compound ID
CP0470917
Compound Name
Benzoic acid N'-(4-methoxy-phenyl)-hydrazide
    Show/Hide
Structure
Formula
C14H14N2O2
Molecular Weight
242.278
Canonical SMILES
COc1ccc(NNC(=O)c2ccccc2)cc1
    Show/Hide
InChI
InChI=1S/C14H14N2O2/c1-18-13-9-7-12(8-10-13)15-16-14(17)11-5-3-2-4-6-11/h2-10,15H,1H3,(H,16,17)
    Show/Hide
InChIKey
BNXWLNCRSLYPFG-UHFFFAOYSA-N
CAS
17473-74-4
Physicochemical Property
logP
2.4521
Rotatable Bonds
4
Heavy Atom Count
18
Polar Areas
50.36
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
18

"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
PubChem ID
CID: 263547
SID: 14749622
ChEMBL ID
CHEMBL347198
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: PT00901, Prostaglandin G/H synthase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000516 ECV-304 Homo sapiens (Human)  1
1
IC50 = 180 nM
   TI
   LI
   LO
   TS