COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK959200
Chemical Name: 2-amino-4-(1,3-benzodioxol-5-yl)-1-(4-bromo-2-fluorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(N)N(C2=C(C1c1ccc3c(c1)OCO3)C(=O)CCC2)c1ccc(cc1F)Br

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Molecular Weight: 482.31
Empirical Formula: C23H17BrFN3O3

Physical State: Dry powder
Available Amount: 48 mg

Lipinsky:
logP: 3.197
Rotatable bonds: 1
H-donors: 2
H-acceptors: 3
PSA: 88
Number of rings: 5

     

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