COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK456194
Chemical Name: ethyl2-({[4-(pyridin-2-yl)piperazin-1-yl]carbonothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=S)N2CCN(CC2)c2ccccn2)sc2c1CCCCC2

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Molecular Weight: 444.62
Empirical Formula: C22H28N4O2S2

Physical State: Dry powder
Available Amount: 339 mg

Lipinsky:
logP: 5.516
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 118
Number of rings: 4

     

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