COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK441554
Chemical Name: dimethyl5-{[(2E)-3-(4-bromophenyl)prop-2-enoyl]amino}-3-methylthiophene-2,4-dicarboxylate
Smiles: COC(=O)c1c(NC(=O)/C=C/c2ccc(cc2)Br)sc(c1C)C(=O)OC

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Molecular Weight: 438.3
Empirical Formula: C18H16BrNO5S

Physical State: Dry powder
Available Amount: 550 mg

Lipinsky:
logP: 7.022
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 109
Number of rings: 2

     

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