General Information of the Compound
Compound ID
CP0421072
Compound Name
N'-benzyl-N'-methylethane-1,2-diamine
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Structure
Formula
C10H16N2
Molecular Weight
164.252
Canonical SMILES
CN(CCN)Cc1ccccc1
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InChI
InChI=1S/C10H16N2/c1-12(8-7-11)9-10-5-3-2-4-6-10/h2-6H,7-9,11H2,1H3
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InChIKey
LIUGRXFEJOSPIA-UHFFFAOYSA-N
CAS
14165-18-5
Physicochemical Property
logP
1.0771
Rotatable Bonds
4
Heavy Atom Count
12
Polar Areas
29.26
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
12

"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: 3014812
SID: 15636723
ChEMBL ID
CHEMBL4470484
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: PT02533, Histone-arginine methyltransferase CARM1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000131 HEK293-F Homo sapiens (Human)  1
1
IC50 = 7500 nM
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