COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK199276
Chemical Name: 9-{3-chloro-5-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Smiles: COc1cc(cc(c1OCc1ccc(cc1)[N+](=O)[O-])Cl)C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2

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Molecular Weight: 509.94
Empirical Formula: C27H24ClNO7

Physical State: Dry powder
Available Amount: 318 mg

Lipinsky:
logP: 3.989
Rotatable bonds: 4
H-donors: 0
H-acceptors: 7
PSA: 107
Number of rings: 5

     

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