COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK918702
Chemical Name: 2-(butan-2-ylsulfanyl)-5-(4-nitrophenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Smiles: CCC(Sc1nc2NC3=C(C(c2c(=O)[nH]1)c1ccc(cc1)[N+](=O)[O-])C(=O)CCC3)C

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Molecular Weight: 426.5
Empirical Formula: C21H22N4O4S

Physical State: Dry powder
Available Amount: 94 mg

Lipinsky:
logP: 2.548
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 141
Number of rings: 4

     

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