COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK457410
Chemical Name: ethyl2-({[2-(4-bromo-1H-pyrazol-1-yl)ethyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=S)NCCn2ncc(c2)Br)sc2c1CCCCC2

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Molecular Weight: 471.44
Empirical Formula: C18H23BrN4O2S2

Physical State: Dry powder
Available Amount: 512 mg

Lipinsky:
logP: 6.462
Rotatable bonds: 6
H-donors: 2
H-acceptors: 2
PSA: 128
Number of rings: 3

     

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