General Information of the Compound
Compound ID
CP0487094
Compound Name
4-Methoxy-benzoic acid N'-(4-chloro-phenyl)-hydrazide
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Structure
Formula
C14H13ClN2O2
Molecular Weight
276.723
Canonical SMILES
COc1ccc(cc1)C(=O)NNc1ccc(Cl)cc1
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InChI
InChI=1S/C14H13ClN2O2/c1-19-13-8-2-10(3-9-13)14(18)17-16-12-6-4-11(15)5-7-12/h2-9,16H,1H3,(H,17,18)
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InChIKey
TZJTVKHEWKAGEO-UHFFFAOYSA-N
Physicochemical Property
logP
3.1055
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
50.36
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 9925578
SID: 14897411
ChEMBL ID
CHEMBL154839
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 = 470 nM
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