COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK432161
Chemical Name: methyl2-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Smiles: COC(=O)c1c(sc2c1CCCCCC2)NC(=O)c1cc2ccccc2oc1=O

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Molecular Weight: 411.48
Empirical Formula: C22H21NO5S

Physical State: Dry powder
Available Amount: 415 mg

Lipinsky:
logP: 7.159
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 109
Number of rings: 4

     

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