COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL053739
Chemical Name: prop-2-en-1-yl2-[(3E)-3-{[4-(benzyloxy)-3-methylphenyl](hydroxy)methylidene}-2-(4-tert-butylphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Smiles: C=CCOC(=O)c1sc(nc1C)N1C(c2ccc(cc2)C(C)(C)C)/C(=C(/c2ccc(c(c2)C)OCc2ccccc2)\O)/C(=O)C1=O

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Molecular Weight: 636.77
Empirical Formula: C37H36N2O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.992
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 134
Number of rings: 5

     

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