COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL052982
Chemical Name: prop-2-en-1-yl2-[(3E)-3-{[4-(benzyloxy)-3-methylphenyl](hydroxy)methylidene}-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Smiles: C=CCOC(=O)c1sc(nc1C)N1C(c2cccc(c2)[N+](=O)[O-])/C(=C(/c2ccc(c(c2)C)OCc2ccccc2)\O)/C(=O)C1=O

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Molecular Weight: 625.66
Empirical Formula: C33H27N3O8S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.034
Rotatable bonds: 9
H-donors: 1
H-acceptors: 8
PSA: 180
Number of rings: 5

     

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