COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK447568
Chemical Name: ethyl5-(diethylcarbamoyl)-4-methyl-2-{[(2E)-3-(3-nitrophenyl)prop-2-enoyl]amino}thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)/C=C/c2cccc(c2)[N+](=O)[O-])sc(c1C)C(=O)N(CC)CC

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Molecular Weight: 459.52
Empirical Formula: C22H25N3O6S

Physical State: Dry powder
Available Amount: 335 mg

Lipinsky:
logP: 6.58
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 149
Number of rings: 2

     

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