COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK537121
Chemical Name: diethyl5-({(2Z)-3-[3-(3,5-dinitrophenoxy)phenyl]prop-2-enoyl}amino)-3-methylthiophene-2,4-dicarboxylate
Smiles: CCOC(=O)c1c(NC(=O)/C=C\c2cccc(c2)Oc2cc(cc(c2)[N+](=O)[O-])[N+](=O)[O-])sc(c1C)C(=O)OCC

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Molecular Weight: 569.55
Empirical Formula: C26H23N3O10S

Physical State: Dry powder
Available Amount: 260 mg

Lipinsky:
logP: 9.401
Rotatable bonds: 9
H-donors: 1
H-acceptors: 10
PSA: 210
Number of rings: 3

     

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