COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL380520
Chemical Name: ethyl(5E)-2-{[(4-tert-butylphenyl)carbonyl]amino}-5-[3-methoxy-4-(prop-2-yn-1-yloxy)benzylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(S/C(=C/c2ccc(c(c2)OC)OCC#C)/C1=O)NC(=O)c1ccc(cc1)C(C)(C)C

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Molecular Weight: 519.62
Empirical Formula: C29H29NO6S

Physical State: Dry powder
Available Amount: 1130 mg

Lipinsky:
logP: 5.573
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 116
Number of rings: 3

     

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