COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK918728
Chemical Name: 5-(4-hydroxy-3-nitrophenyl)-8,8-dimethyl-2-(propan-2-ylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Smiles: CC(Sc1nc2NC3=C(C(c2c(=O)[nH]1)c1ccc(c(c1)[N+](=O)[O-])O)C(=O)CC(C3)(C)C)C

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Molecular Weight: 456.52
Empirical Formula: C22H24N4O5S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 2.81
Rotatable bonds: 4
H-donors: 3
H-acceptors: 5
PSA: 161
Number of rings: 4

     

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