COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK813086
Chemical Name: (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-{[3-(4-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCCCOc1ccc(cc1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)Cc1ccc2c(c1)OCO2)c1ccccc1

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Molecular Weight: 569.71
Empirical Formula: C31H27N3O4S2

Physical State: Dry powder
Available Amount: 102 mg

Lipinsky:
logP: 7.025
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 123
Number of rings: 6

     

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