General Information of the Compound
Compound ID
CP0156012
Compound Name
4-(4-methoxyphenyl)-4,4-diphenylbutan-1-amine
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Structure
Formula
C23H25NO
Molecular Weight
331.459
Canonical SMILES
COc1ccc(cc1)C(CCCN)(c1ccccc1)c1ccccc1
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InChI
InChI=1S/C23H25NO/c1-25-22-15-13-21(14-16-22)23(17-8-18-24,19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-7,9-16H,8,17-18,24H2,1H3
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InChIKey
IRHHFVBHMPOEPM-UHFFFAOYSA-N
Physicochemical Property
logP
4.7685
Rotatable Bonds
7
Heavy Atom Count
25
Polar Areas
35.25
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 71583033
SID: 163634924
ChEMBL ID
CHEMBL2325436
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 6600 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000048 PC-3 Homo sapiens (Human)  1
1
GI50 = 158 nM
   TI
   LI
   LO
   TS
CL000067 HCT 116 Homo sapiens (Human)  1
1
GI50 = 33 nM
   TI
   LI
   LO
   TS