General Information of the Compound
Compound ID
CP0708912
Compound Name
SID50112831
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Synonyms
AC 1802
Aprindin
Aprindina
Aprindina [INN-Spanish]
Aprindine
Aprindine (USAN/INN)
Aprindine [USAN:BAN:INN]
Aprindinum
Aprindinum [INN-Latin]
Aprinidine
Fibocil
N'-(2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-N'-phenylpropane-1,3-diamine
N,N-Diethyl-N'-2-indanyl-N'-phenyl-1,3-propanediamine
N,N-Diethyl-N'-2-indanyl-N'-phenyl-1,3-propanediaminemonohydrochloride
N-(2,3-Dihydro-1H-inden-2-yl)-N',N'-diethyl-N-phenyl-1,3-propanediamine
N-(2,3-dihydro-1H-inden-2-yl)-N',N'-diethyl-N-phenylpropane-1,3-diamine
N-(3-(Diethylamino)propyl)-N-phenyl-2-indanamine
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Structure
Formula
C22H30N2
Molecular Weight
322.496
Canonical SMILES
CCN(CC)CCCN(c1ccccc1)C1Cc2ccccc2C1
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InChI
InChI=1S/C22H30N2/c1-3-23(4-2)15-10-16-24(21-13-6-5-7-14-21)22-17-19-11-8-9-12-20(19)18-22/h5-9,11-14,22H,3-4,10,15-18H2,1-2H3
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InChIKey
NZLBHDRPUJLHCE-UHFFFAOYSA-N
CAS
37640-71-4
Physicochemical Property
logP
4.3923
Rotatable Bonds
8
Heavy Atom Count
24
Polar Areas
6.48
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
24

"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: 2218
SID: 15494731
ChEMBL ID
CHEMBL1213033
DrugBank ID
DB01429
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: PT06109, Geminin
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 10593.1 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001056 MEF-1 [Mouse fibroblast]
 Cell Line Info 
Mus musculus (Mouse)  1
1
Potency = 23280.9 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Aprindine )
Drug Name Aprindine
Indication
Cardiac arrhythmias
Approved