COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK817790
Chemical Name: 3-{(5Z)-5-[(3-{3-[(3-methylpiperidin-1-yl)sulfonyl]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoicacid
Smiles: CC1CCCN(C1)S(=O)(=O)c1cccc(c1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CCC(=O)O)c1ccccc1

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Molecular Weight: 596.75
Empirical Formula: C28H28N4O5S3

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.356
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 178
Number of rings: 5

     

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