General Information of the Compound
Compound ID
CP0513556
Compound Name
1-[2-(4-chlorophenyl)-2-methoxyethyl]-1-methylhydrazine
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Structure
Formula
C10H15ClN2O
Molecular Weight
214.696
Canonical SMILES
COC(CN(C)N)c1ccc(Cl)cc1
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InChI
InChI=1S/C10H15ClN2O/c1-13(12)7-10(14-2)8-3-5-9(11)6-4-8/h3-6,10H,7,12H2,1-2H3
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InChIKey
KFJUCVCSJFIEST-UHFFFAOYSA-N
Physicochemical Property
logP
1.833
Rotatable Bonds
4
Heavy Atom Count
14
Polar Areas
38.49
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
14

"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: 46929848
SID: 99435789
ChEMBL ID
CHEMBL1241329
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: PT02562, Membrane primary amine oxidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 426.58 nM
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