COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK432622
Chemical Name: (2E)-4-{[4-(4-tert-butylphenyl)-3-(ethoxycarbonyl)-5-methylthiophen-2-yl]amino}-4-oxobut-2-enoicacid
Smiles: CCOC(=O)c1c(NC(=O)/C=C/C(=O)O)sc(c1c1ccc(cc1)C(C)(C)C)C

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Molecular Weight: 415.51
Empirical Formula: C22H25NO5S

Physical State: Dry powder
Available Amount: 1351 mg

Lipinsky:
logP: 6.86
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 120
Number of rings: 2

     

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