General Information of the Compound
Compound ID
CP0378361
Compound Name
4-Chloro-N-(3-phenyl-[1,2,4]thiadiazol-5-yl)-benzamide
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Structure
Formula
C15H10ClN3OS
Molecular Weight
315.785
Canonical SMILES
Clc1ccc(cc1)C(=O)Nc1nc(ns1)-c1ccccc1
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InChI
InChI=1S/C15H10ClN3OS/c16-12-8-6-11(7-9-12)14(20)18-15-17-13(19-21-15)10-4-2-1-3-5-10/h1-9H,(H,17,18,19,20)
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InChIKey
ZWTDQYDEOKABAQ-UHFFFAOYSA-N
Physicochemical Property
logP
4.1108
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
54.88
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 2241547
SID: 15870266
ChEMBL ID
CHEMBL165741
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 = 520 nM
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