General Information of the Compound
Compound ID
CP0487022
Compound Name
(3,3-Diphenyl-propyl)-(1-methyl-2-phenyl-ethyl)-amine
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Structure
Formula
C24H27N
Molecular Weight
329.487
Canonical SMILES
CC(Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1
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InChI
InChI=1S/C24H27N/c1-20(19-21-11-5-2-6-12-21)25-18-17-24(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,20,24-25H,17-19H2,1H3
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InChIKey
IFFPICMESYHZPQ-UHFFFAOYSA-N
CAS
390-64-7
Physicochemical Property
logP
5.4294
Rotatable Bonds
8
Heavy Atom Count
25
Polar Areas
12.03
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
25

"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: 9801
SID: 14924286
ChEMBL ID
CHEMBL24072
DrugBank ID
DB04825
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: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 65 nM
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Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 2520 nM
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