COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK456869
Chemical Name: ethyl2-({[1-(1,3-benzodioxol-5-yl)ethyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=S)NC(c2ccc3c(c2)OCO3)C)sc2c1CCCCC2

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Molecular Weight: 446.59
Empirical Formula: C22H26N2O4S2

Physical State: Dry powder
Available Amount: 281 mg

Lipinsky:
logP: 7.066
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 129
Number of rings: 4

     

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