General Information of the Compound
Compound ID
CP0468117
Compound Name
N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
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Synonyms
AC1M3OE0
AKOS000813205
BDBM50097440
CHEMBL165783
F3394-1092
HMS3451M02
MCULE-2440953367
MolPort-000-646-915
N-(3-Phenyl-1,2,4-thiadiazole-5-yl)benzamide
N-(3-Phenyl-[1,2,4]thiadiazol-5-yl)-benzamide
N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
ST45223360
STL202734
UPCMLD0ENAT5889812:001
VU0618368-1
ZINC2889428
phenyl-N-(3-phenyl(1,2,4-thiadiazol-5-yl))carboxamide
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Structure
Formula
C15H11N3OS
Molecular Weight
281.34
Canonical SMILES
O=C(Nc1nc(ns1)-c1ccccc1)c1ccccc1
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InChI
InChI=1S/C15H11N3OS/c19-14(12-9-5-2-6-10-12)17-15-16-13(18-20-15)11-7-3-1-4-8-11/h1-10H,(H,16,17,18,19)
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InChIKey
AYSLYXJUYHXKHV-UHFFFAOYSA-N
Physicochemical Property
logP
3.4574
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
54.88
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
20

"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: 2241548
SID: 15592509
ChEMBL ID
CHEMBL165783
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: PT01279, Adenosine receptor A3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 410 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( N-(3-Phenyl-[1,2,4]thiadiazol-5-yl)-benzamide )
Drug Name N-(3-Phenyl-[1,2,4]thiadiazol-5-yl)-benzamide
Target(s)
Adenosine A2a receptor (ADORA2A)
Inhibitor