COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK980816
Chemical Name: 2-(benzylsulfanyl)-8,8-dimethyl-5-(4-nitrophenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Smiles: O=C1CC(C)(C)CC2=C1C(c1ccc(cc1)[N+](=O)[O-])c1c(N2)nc([nH]c1=O)SCc1ccccc1

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Molecular Weight: 488.57
Empirical Formula: C26H24N4O4S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 3.948
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 141
Number of rings: 5

     

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