General Information of the Compound
Compound ID
CP0493697
Compound Name
2-(4-chloro-2-methylphenoxy)-N'-[(2-methoxyphenyl)methyl]acetohydrazide
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Structure
Formula
C17H19ClN2O3
Molecular Weight
334.803
Canonical SMILES
COc1ccccc1CNNC(=O)COc1ccc(Cl)cc1C
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InChI
InChI=1S/C17H19ClN2O3/c1-12-9-14(18)7-8-15(12)23-11-17(21)20-19-10-13-5-3-4-6-16(13)22-2/h3-9,19H,10-11H2,1-2H3,(H,20,21)
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InChIKey
MCAGIUZVMNKDNH-UHFFFAOYSA-N
Physicochemical Property
logP
2.85682
Rotatable Bonds
7
Heavy Atom Count
23
Polar Areas
59.59
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 148455436
ChEMBL ID
CHEMBL4449467
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: PT06716, Anoctamin-1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000259 FRT Rattus norvegicus (Rat)  1
1
IC50 = 10700 nM
   TI
   LI
   LO
   TS
Protein ID: PT06826, Anoctamin-2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000259 FRT Rattus norvegicus (Rat)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS