General Information of the Compound
Compound ID
CP0008374
Compound Name
1-(bis(4-fluorophenyl)methyl)-4-cinnamylpiperazine
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Synonyms
(E)-1-(Bis(4-fluorophenyl)methyl)-4-(3-phenyl-2-propenyl)piperazine
(E)-1-[Bis-(p-fluorophenyl)methyl]-4-cinnamylpiperazine
1-(Bis(4-fluorophenyl)methyl)-4-cinnamylpiperazine
1-[bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-en-1-yl)piperazine
1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
Apo-flunarizine capsules
Flufenal
Flunarizin
Flunarizina
Flunarizina [INN-Spanish]
Flunarizine
Flunarizine (INN)
Flunarizine [INN:BAN]
Flunarizinum
Flunarizinum [INN-Latin]
Fluvert
Issium
Novo-Flunarizine
R-14950
Sibelium
Sibelium (TN)
Vertix
Zinasen
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Structure
Formula
C26H26F2N2
Molecular Weight
404.504
Canonical SMILES
Fc1ccc(cc1)C(N1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1
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InChI
InChI=1S/C26H26F2N2/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)30-19-17-29(18-20-30)16-4-7-21-5-2-1-3-6-21/h1-15,26H,16-20H2/b7-4+
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InChIKey
SMANXXCATUTDDT-QPJJXVBHSA-N
CAS
40218-96-0
Physicochemical Property
logP
5.3852
Rotatable Bonds
6
Heavy Atom Count
30
Polar Areas
6.48
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
30

"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: 941361
SID: 14879384
ChEMBL ID
CHEMBL30008
DrugBank ID
DB04841
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: PT04059, Sodium channel protein type 2 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 490 nM
   TI
   LI
   LO
   TS
Protein ID: PT02031, Voltage-dependent N-type calcium channel subunit alpha-1B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000016 IMR-32 Homo sapiens (Human)  1
1
IC50 = 1670 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Flunarizine )
Drug Name Flunarizine
Company Janssen Pharmaceutica
Indication
Migraine
Approved
Target(s)
Voltage-gated calcium channel alpha Cav2.1 (CACNA1A)
Inhibitor
Voltage-gated calcium channel alpha Cav3.2 (CACNA1H)
Blocker