General Information of the Compound
Compound ID
CP0468115
Compound Name
4-Chloro-benzoic acid N'-p-tolyl-hydrazide
    Show/Hide
Structure
Formula
C14H13ClN2O
Molecular Weight
260.724
Canonical SMILES
Cc1ccc(NNC(=O)c2ccc(Cl)cc2)cc1
    Show/Hide
InChI
InChI=1S/C14H13ClN2O/c1-10-2-8-13(9-3-10)16-17-14(18)11-4-6-12(15)7-5-11/h2-9,16H,1H3,(H,17,18)
    Show/Hide
InChIKey
DTCIOOIQPABRIQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.40532
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
41.13
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
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: 9816662
SID: 14774679
ChEMBL ID
CHEMBL154373
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 = 10 nM
   TI
   LI
   LO
   TS