COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK566087
Chemical Name: 8-ethyl-5-oxo-2-[4-(prop-2-en-1-ylcarbamothioyl)piperazin-1-ium-1-yl]-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
Smiles: C=CCNC(=S)N1CC[NH+](CC1)c1ncc2c(n1)n(CC)cc(c2=O)C(=O)[O-]

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Molecular Weight: 402.48
Empirical Formula: C18H22N6O3S

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 0.471
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 138
Number of rings: 3

     

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