COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL000795
Chemical Name: ethyl2- (acetylamino)- 7- hydroxy- 4,6- dinitro- 1- benzothiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)C)sc2c1c(cc(c2O)[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 369.31
Empirical Formula: C13H11N3O8S

Physical State: Dry powder
Available Amount: 7028 mg

Lipinsky:
logP: 4.53
Rotatable bonds: 4
H-donors: 2
H-acceptors: 8
PSA: 195
Number of rings: 2

     

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