General Information of the Compound
Compound ID
CP0481813
Compound Name
1-[2-(methylamino)ethyl]-N-phenylpiperidin-4-amine
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Structure
Formula
C14H23N3
Molecular Weight
233.359
Canonical SMILES
CNCCN1CCC(CC1)Nc1ccccc1
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InChI
InChI=1S/C14H23N3/c1-15-9-12-17-10-7-14(8-11-17)16-13-5-3-2-4-6-13/h2-6,14-16H,7-12H2,1H3
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InChIKey
SVJIZDDQCMAIMW-UHFFFAOYSA-N
Physicochemical Property
logP
1.7823
Rotatable Bonds
5
Heavy Atom Count
17
Polar Areas
27.3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 134141657
ChEMBL ID
CHEMBL3924501
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
CL000247 MT-4 Homo sapiens (Human)  1
1
IC50 = 616 nM
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