General Information of the Compound
Compound ID
CP0163120
Compound Name
3,5-diphenyl-1,2,4-thiadiazole
    Show/Hide
Structure
Formula
C14H10N2S
Molecular Weight
238.315
Canonical SMILES
c1ccc(cc1)-c1nsc(n1)-c1ccccc1
    Show/Hide
InChI
InChI=1S/C14H10N2S/c1-3-7-11(8-4-1)13-15-14(17-16-13)12-9-5-2-6-10-12/h1-10H
    Show/Hide
InChIKey
PKIQAUQLUIESRI-UHFFFAOYSA-N
CAS
4115-15-5
Physicochemical Property
logP
3.8721
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
25.78
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
17

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 165184
SID: 15764323
ChEMBL ID
CHEMBL264401
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