General Information of the Compound
Compound ID
CP0509284
Compound Name
1-methyl-1-[2-(3,4,5-trimethoxyphenyl)ethyl]hydrazine
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Structure
Formula
C12H20N2O3
Molecular Weight
240.303
Canonical SMILES
COc1cc(CCN(C)N)cc(OC)c1OC
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InChI
InChI=1S/C12H20N2O3/c1-14(13)6-5-9-7-10(15-2)12(17-4)11(8-9)16-3/h7-8H,5-6,13H2,1-4H3
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InChIKey
WPIATXXGDNTGJB-UHFFFAOYSA-N
Physicochemical Property
logP
1.0604
Rotatable Bonds
6
Heavy Atom Count
17
Polar Areas
56.95
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 17778061
SID: 99436848
ChEMBL ID
CHEMBL1241002
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 = 323.59 nM
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