COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK400578
Chemical Name: (2E)-4-{[4-(3,4-dimethylphenyl)-3-(ethoxycarbonyl)-5-methylthiophen-2-yl]amino}-4-oxobut-2-enoicacid
Smiles: CCOC(=O)c1c(NC(=O)/C=C/C(=O)O)sc(c1c1ccc(c(c1)C)C)C

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Molecular Weight: 387.46
Empirical Formula: C20H21NO5S

Physical State: Dry powder
Available Amount: 137 mg

Lipinsky:
logP: 6.092
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 120
Number of rings: 2

     

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