COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL471049
Chemical Name: (4E)-N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enamide
Smiles: COc1c(C/C=C(/CCC(=O)NCCSc2ccc(cc2)Cl)\C)c(O)c2c(c1C)COC2=O

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Molecular Weight: 490.02
Empirical Formula: C25H28ClNO5S

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 5.672
Rotatable bonds: 10
H-donors: 2
H-acceptors: 5
PSA: 110
Number of rings: 3

     

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