COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK418164
Chemical Name: methyl2-{[(3-methyl-4-nitrophenyl)carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=O)c2ccc(c(c2)C)[N+](=O)[O-])sc2c1CCCCCC2

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Molecular Weight: 402.47
Empirical Formula: C20H22N2O5S

Physical State: Dry powder
Available Amount: 2707 mg

Lipinsky:
logP: 7.366
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 129
Number of rings: 3

     

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