COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK457544
Chemical Name: methyl2-({[2-(1,3-benzodioxol-5-ylcarbonyl)hydrazinyl]carbonothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=S)NNC(=O)c2ccc3c(c2)OCO3)sc2c1CCCCCC2

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Molecular Weight: 461.56
Empirical Formula: C21H23N3O5S2

Physical State: Dry powder
Available Amount: 613 mg

Lipinsky:
logP: 6.272
Rotatable bonds: 4
H-donors: 3
H-acceptors: 5
PSA: 158
Number of rings: 4

     

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