COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL001929
Chemical Name: ethyl7-chloro-6-formyl-2-{[(4-nitrophenyl)carbonyl]amino}-4,5-dihydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)c2ccc(cc2)[N+](=O)[O-])sc2c1CCC(=C2Cl)C=O

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Molecular Weight: 434.86
Empirical Formula: C19H15ClN2O6S

Physical State: Dry powder
Available Amount: 1543 mg

Lipinsky:
logP: 6.733
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 146
Number of rings: 3

     

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