COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK565458
Chemical Name: 2-[4-(bicyclo[2.2.1]hept-2-ylcarbamothioyl)piperazin-1-ium-1-yl]-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
Smiles: CCn1cc(C(=O)[O-])c(=O)c2c1nc(nc2)[NH+]1CCN(CC1)C(=S)NC1CC2CC1CC2

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Molecular Weight: 456.57
Empirical Formula: C22H28N6O3S

Physical State: Dry powder
Available Amount: 354 mg

Lipinsky:
logP: 1.557
Rotatable bonds: 2
H-donors: 2
H-acceptors: 3
PSA: 138
Number of rings: 5

     

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