COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK387961
Chemical Name: ethyl2-{3-[(Z)-{(2Z)-2-[(3,4-dimethylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)/C=C/1\S/C(=N\c2ccc(c(c2)C)C)/NC1=O

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Molecular Weight: 533.72
Empirical Formula: C29H31N3O3S2

Physical State: Dry powder
Available Amount: 546 mg

Lipinsky:
logP: 6.94
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 126
Number of rings: 5

     

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