COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK969916
Chemical Name: diethyl5-{[(2E)-3-(3-bromo-4-methoxyphenyl)prop-2-enoyl]amino}-3-methylthiophene-2,4-dicarboxylate
Smiles: CCOC(=O)c1c(NC(=O)/C=C/c2ccc(c(c2)Br)OC)sc(c1C)C(=O)OCC

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Molecular Weight: 496.38
Empirical Formula: C21H22BrNO6S

Physical State: Dry powder
Available Amount: 110 mg

Lipinsky:
logP: 7.772
Rotatable bonds: 9
H-donors: 1
H-acceptors: 6
PSA: 119
Number of rings: 2

     

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