TY-52156

Ligand id: 10310

Name: TY-52156

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 53.49
Molecular weight 363.09
XLogP 5.75
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-(4-chloroanilino)-N'-(4-chlorophenyl)-3,3-dimethyl-2-oxobutanimidamide
Synonyms
TY 52156 | TY52156
Comments
S1P3 receptor antagonist.
Database Links
CAS Registry No. 934369-14-9
GtoPdb PubChem SID 381744991
PubChem CID 16046248
Search Google for chemical match using the InChIKey XONRRGIRSGNWFP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone XONRRGIRSGNWFP
Search UniChem for chemical match using the InChIKey XONRRGIRSGNWFP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone XONRRGIRSGNWFP

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Tocris
TY 52156
Cat. No. 5328