COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL427032
Chemical Name: 2,2'-[(2-nitrophenyl)methanediyl]bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)
Smiles: OC1=C(C(=O)CC(C1)(C)C)C(c1ccccc1[N+](=O)[O-])C1=C(O)CC(CC1=O)(C)C

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Molecular Weight: 413.47
Empirical Formula: C23H27NO6

Physical State: Dry powder
Available Amount: 254 mg

Lipinsky:
logP: 4.405
Rotatable bonds: 5
H-donors: 2
H-acceptors: 6
PSA: 120
Number of rings: 3

     

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