COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK562526
Chemical Name: ethyl2-{2,5-dimethyl-3-[(E)-(4-oxo-2-sulfanyl-1,3-thiazol-5(4H)-ylidene)methyl]-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/SC(=NC1=O)S

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Molecular Weight: 446.62
Empirical Formula: C21H22N2O3S3

Physical State: Dry powder
Available Amount: 313 mg

Lipinsky:
logP: 7.006
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 153
Number of rings: 4

     

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