COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK355659
Chemical Name: 4-ethyl2-methyl5-{[(3-chloro-7-nitro-1-benzothiophen-2-yl)carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
Smiles: CCOC(=O)c1c(NC(=O)c2sc3c(c2Cl)cccc3[N+](=O)[O-])sc(c1C)C(=O)OC

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Molecular Weight: 482.92
Empirical Formula: C19H15ClN2O7S2

Physical State: Dry powder
Available Amount: 419 mg

Lipinsky:
logP: 7.539
Rotatable bonds: 6
H-donors: 1
H-acceptors: 7
PSA: 184
Number of rings: 3

     

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