COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK373597
Chemical Name: 2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(C)NC2=C(C1c1cc3OCOc3cc1[N+](=O)[O-])C(=O)CCC2

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Molecular Weight: 353.33
Empirical Formula: C18H15N3O5

Physical State: Dry powder
Available Amount: 13 mg

Lipinsky:
logP: 1.79
Rotatable bonds: 1
H-donors: 1
H-acceptors: 5
PSA: 117
Number of rings: 4

     

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