General Information of the Compound
Compound ID
CP0448242
Compound Name
Benzoic acid N'-p-tolyl-hydrazide
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Structure
Formula
C14H14N2O
Molecular Weight
226.279
Canonical SMILES
Cc1ccc(NNC(=O)c2ccccc2)cc1
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InChI
InChI=1S/C14H14N2O/c1-11-7-9-13(10-8-11)15-16-14(17)12-5-3-2-4-6-12/h2-10,15H,1H3,(H,16,17)
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InChIKey
CNGVURRRRSANRN-UHFFFAOYSA-N
Physicochemical Property
logP
2.75192
Rotatable Bonds
3
Heavy Atom Count
17
Polar Areas
41.13
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
17

"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: 4226790
SID: 15121557
ChEMBL ID
CHEMBL157950
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 = 330 nM
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