COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL000758
Chemical Name: ethyl2- {[(4- nitrophenyl)carbonyl]amino}- 5,6,7,8- tetrahydro- 4H- cyclohepta[b]thiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)c2ccc(cc2)[N+](=O)[O-])sc2c1CCCCC2

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Molecular Weight: 388.44
Empirical Formula: C19H20N2O5S

Physical State: Dry powder
Available Amount: 5242 mg

Lipinsky:
logP: 6.873
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 129
Number of rings: 3

     

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