COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK821190
Chemical Name: 4-{(Z)-[3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl3,6-dichloro-1-benzothiophene-2-carboxylate
Smiles: COc1cc(ccc1OC(=O)c1sc2c(c1Cl)ccc(c2)Cl)/C=C/1\SC(=S)N(C1=O)c1c(C)n(n(c1=O)c1ccccc1)C

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Molecular Weight: 682.63
Empirical Formula: C31H21Cl2N3O5S3

Physical State: Dry powder
Available Amount: 105 mg

Lipinsky:
logP: 7.212
Rotatable bonds: 5
H-donors: 0
H-acceptors: 5
PSA: 165
Number of rings: 6

     

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