COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK980677
Chemical Name: 5-(6-nitro-1,3-benzodioxol-5-yl)-2-(prop-2-en-1-ylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Smiles: C=CCSc1nc2NC3=C(C(c2c(=O)[nH]1)c1cc2OCOc2cc1[N+](=O)[O-])C(=O)CCC3

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Molecular Weight: 454.46
Empirical Formula: C21H18N4O6S

Physical State: Dry powder
Available Amount: 118 mg

Lipinsky:
logP: 2.237
Rotatable bonds: 4
H-donors: 2
H-acceptors: 6
PSA: 160
Number of rings: 5

     

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