General Information of the Compound
Compound ID
CP0357692
Compound Name
1,2-bis(3-fluorobenzylidene)hydrazine
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Synonyms
1,2-Bis(3-Fluorobenzylidene)Hydrazine
15332-10-2
3,3 inverted exclamation marka-Difluorobenzaldazine
3,3'-Difluorobenzaldazine
3,3'-difluorobenzaldazine
AC1O7H0M
AKOS024456711
BDBM50156074
C-14798
CCG-222147
CHEBI:92414
CHEMBL371811
DFB
DFB, &gt
HMS3262J07
J-009001
KB-76455
MFCD03653615
MolPort-003-940-930
NCGC00025238-02
NCGC00025238-03
NCGC00025238-04
NCGC00025238-05
NCGC00261528-01
SCHEMBL12017614
SCHEMBL12497017
SR-01000597595
SR-01000597595-1
Tox21_500843
VZ25360
ZINC13719901
bis(3-fluorobenzylidene)hydrazine
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Structure
Formula
C14H10F2N2
Molecular Weight
244.244
Canonical SMILES
Fc1cccc(\C=N\N=C\c2cccc(F)c2)c1
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InChI
InChI=1S/C14H10F2N2/c15-13-5-1-3-11(7-13)9-17-18-10-12-4-2-6-14(16)8-12/h1-10H/b17-9+,18-10+
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InChIKey
YYMCVDNIIFNDJK-BEQMOXJMSA-N
Physicochemical Property
logP
3.4178
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
24.72
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
18

"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: 6604893
SID: 96052388
ChEMBL ID
CHEMBL371811
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: PT00854, Metabotropic glutamate receptor 5
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
EC50 = 2.36 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 2600 nM
Clinical Information about the Compound
Drug 1 ( 3,3'-difluorobenzaldazine )
Drug Name 3,3'-difluorobenzaldazine
Target(s)
Metabotropic glutamate receptor 5 (mGluR5)
 Target Info 
Modulator (allosteric modulator)