COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK052306
Chemical Name: 3-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl3-nitrobenzoate
Smiles: O=C(c1cccc(c1)[N+](=O)[O-])Oc1cccc(c1)C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2

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Molecular Weight: 459.46
Empirical Formula: C26H21NO7

Physical State: Dry powder
Available Amount: 99 mg

Lipinsky:
logP: 3.372
Rotatable bonds: 4
H-donors: 0
H-acceptors: 7
PSA: 115
Number of rings: 5

     

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