COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL380532
Chemical Name: ethyl(5Z)-2-{[(4-tert-butylphenyl)carbonyl]amino}-5-[3-methyl-4-(pyrrolidin-1-yl)benzylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(S/C(=C\c2ccc(c(c2)C)N2CCCC2)/C1=O)NC(=O)c1ccc(cc1)C(C)(C)C

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Molecular Weight: 518.68
Empirical Formula: C30H34N2O4S

Physical State: Dry powder
Available Amount: 484 mg

Lipinsky:
logP: 6.763
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 101
Number of rings: 4

     

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