COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL380573
Chemical Name: 2-amino-4-{3-bromo-4-[(4-nitrobenzyl)oxy]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Smiles: N#CC1=C(N)OC2=C(C1c1ccc(c(c1)Br)OCc1ccc(cc1)[N+](=O)[O-])C(=O)CC(C2)(C)C

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Molecular Weight: 524.37
Empirical Formula: C25H22BrN3O5

Physical State: Dry powder
Available Amount: 1065 mg

Lipinsky:
logP: 4.254
Rotatable bonds: 3
H-donors: 2
H-acceptors: 5
PSA: 131
Number of rings: 4

     

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