COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK843511
Chemical Name: methyl2-{[(1,3-benzodioxol-5-ylcarbonyl)carbamothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=S)NC(=O)c2ccc3c(c2)OCO3)sc2c1CCCCCC2

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Molecular Weight: 446.55
Empirical Formula: C21H22N2O5S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.451
Rotatable bonds: 3
H-donors: 2
H-acceptors: 5
PSA: 146
Number of rings: 4

     

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