General Information of the Compound
Compound ID
CP0403805
Compound Name
N-(3-phenyl-1,2,4-thiadiazol-5-yl)cyclohexanecarboxamide
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Structure
Formula
C15H17N3OS
Molecular Weight
287.388
Canonical SMILES
O=C(Nc1nc(ns1)-c1ccccc1)C1CCCCC1
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InChI
InChI=1S/C15H17N3OS/c19-14(12-9-5-2-6-10-12)17-15-16-13(18-20-15)11-7-3-1-4-8-11/h1,3-4,7-8,12H,2,5-6,9-10H2,(H,16,17,18,19)
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InChIKey
BSOQQLHCSQDASV-UHFFFAOYSA-N
Physicochemical Property
logP
3.7239
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: 10637031
SID: 15668177
ChEMBL ID
CHEMBL164782
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 = 16000 nM
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   LI
   LO
   TS