COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK880736
Chemical Name: (5Z)-5-{[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-heptyl-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(c(c2)OC)OC)c2ccccc2)/C1=O

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Molecular Weight: 521.7
Empirical Formula: C28H31N3O3S2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 6.598
Rotatable bonds: 10
H-donors: 0
H-acceptors: 3
PSA: 113
Number of rings: 4

     

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