COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK433202
Chemical Name: methyl2-{[(5-chloro-2-nitrophenyl)carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Smiles: COC(=O)c1c(sc2c1CCCCCC2)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-]

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Molecular Weight: 422.89
Empirical Formula: C19H19ClN2O5S

Physical State: Dry powder
Available Amount: 10 mg

Lipinsky:
logP: 7.591
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 129
Number of rings: 3

     

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