COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK810219
Chemical Name: (5Z)-3-heptyl-5-{[1-phenyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OCCC)c2ccccc2)/C1=O

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Molecular Weight: 519.73
Empirical Formula: C29H33N3O2S2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 7.989
Rotatable bonds: 9
H-donors: 0
H-acceptors: 2
PSA: 104
Number of rings: 4

     

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