COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK981117
Chemical Name: 5-(1,3-benzodioxol-5-yl)-8,8-dimethyl-2-thioxo-2,3,5,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6(1H,7H)-dione
Smiles: S=c1[nH]c2NC3=C(C(c2c(=O)[nH]1)c1ccc2c(c1)OCO2)C(=O)CC(C3)(C)C

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Molecular Weight: 397.45
Empirical Formula: C20H19N3O4S

Physical State: Dry powder
Available Amount: 112 mg

Lipinsky:
logP: 1.761
Rotatable bonds: 1
H-donors: 3
H-acceptors: 4
PSA: 120
Number of rings: 5

     

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