COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL037282
Chemical Name: 6-bromo-3-[(2E)-3-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]-4-phenylquinolin-2(1H)-one
Smiles: Brc1ccc2c(c1)c(c1ccccc1)c(c(=O)[nH]2)C(=O)/C=C/c1cc2OCCOc2cc1[N+](=O)[O-]

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Molecular Weight: 533.33
Empirical Formula: C26H17BrN2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.954
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 110
Number of rings: 5

     

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