COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK564715
Chemical Name: 8-ethyl-2-{4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamothioyl]piperazin-1-ium-1-yl}-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
Smiles: COC(=O)C(C(C)C)NC(=S)N1CC[NH+](CC1)c1ncc2c(n1)n(CC)cc(c2=O)C(=O)[O-]

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Molecular Weight: 476.56
Empirical Formula: C21H28N6O5S

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 0.97
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 164
Number of rings: 3

     

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