COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK813704
Chemical Name: (5Z)-5-{[3-(4-butoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-dodecyl-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCCCCCCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(c(c2)C)OCCCC)c2ccccc2)/C1=O

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Molecular Weight: 617.92
Empirical Formula: C36H47N3O2S2

Physical State: Dry powder
Available Amount: 102 mg

Lipinsky:
logP: 11.638
Rotatable bonds: 17
H-donors: 0
H-acceptors: 2
PSA: 104
Number of rings: 4

     

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