COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL016903
Chemical Name: methyl2-isothiocyanato-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Smiles: S=C=Nc1sc2c(c1C(=O)OC)CCCCCC2

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Molecular Weight: 281.4
Empirical Formula: C13H15NO2S2

Physical State: Dry powder
Available Amount: 765 mg

Lipinsky:
logP: 6.48
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 98
Number of rings: 2

     

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