COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK328863
Chemical Name: 2-{4-[(1,4-dimethoxy-1,4-dioxobutan-2-yl)carbamothioyl]piperazin-1-yl}-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylicacid(non-preferredname)
Smiles: COC(=O)C(NC(=S)N1CCN(CC1)c1ncc2c(n1)n(CC)cc(c2=O)C(=O)O)CC(=O)OC

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Molecular Weight: 506.54
Empirical Formula: C21H26N6O7S

Physical State: Dry powder
Available Amount: 106 mg

Lipinsky:
logP: 0.428
Rotatable bonds: 9
H-donors: 2
H-acceptors: 7
PSA: 186
Number of rings: 3

     

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