General Information of the Compound
Compound ID
CP0316205
Compound Name
3,5-bis(2-fluorophenyl)-1,2,4-thiadiazole
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Structure
Formula
C14H8F2N2S
Molecular Weight
274.295
Canonical SMILES
Fc1ccccc1-c1nsc(n1)-c1ccccc1F
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InChI
InChI=1S/C14H8F2N2S/c15-11-7-3-1-5-9(11)13-17-14(19-18-13)10-6-2-4-8-12(10)16/h1-8H
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InChIKey
QGNMWAGPBKAYJX-UHFFFAOYSA-N
Physicochemical Property
logP
4.1503
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
25.78
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 56837845
SID: 134967388
ChEMBL ID
CHEMBL1939530
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: PT01718, Nitric oxide synthase, inducible
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000014 RAW 264.7 Mus musculus (Mouse)  1
1
IC50 > 50000 nM
   TI
   LI
   LO
   TS