General Information of the Compound
Compound ID
CP0086396
Compound Name
FLUTRIMAZOLE
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Synonyms
2-fluorophenyl carbinol
Flusporan
Flutrimazole
Micetal
UR-4056
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Structure
Formula
C22H16F2N2
Molecular Weight
346.38
Canonical SMILES
Fc1ccc(cc1)C(c1ccccc1)(c1ccccc1F)n1ccnc1
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InChI
InChI=1S/C22H16F2N2/c23-19-12-10-18(11-13-19)22(26-15-14-25-16-26,17-6-2-1-3-7-17)20-8-4-5-9-21(20)24/h1-16H
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InChIKey
QHMWCHQXCUNUAK-UHFFFAOYSA-N
CAS
119006-77-8
Physicochemical Property
logP
5.0015
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
17.82
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
26

"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: 3401
SID: 12014447
ChEMBL ID
CHEMBL2107430
DrugBank ID
DB13425
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: PT01552, Nuclear receptor subfamily 1 group I member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
EC50 = 6100 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Flutrimazole )
Drug Name Flutrimazole
Company Grupo Uriach
Indication
Fungal infection
Approved