COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK467234
Chemical Name: dimethyl5-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}-3-methylthiophene-2,4-dicarboxylate
Smiles: COC(=O)c1c(NC(=O)/C=C/c2ccc3c(c2)OCO3)sc(c1C)C(=O)OC

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Molecular Weight: 403.41
Empirical Formula: C19H17NO7S

Physical State: Dry powder
Available Amount: 370 mg

Lipinsky:
logP: 6.252
Rotatable bonds: 6
H-donors: 1
H-acceptors: 7
PSA: 128
Number of rings: 3

     

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