COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK091980
Chemical Name: 2,2'-[(4-nitrophenyl)methanediyl]bis[5-(4-methoxyphenyl)cyclohexane-1,3-dione]
Smiles: COc1ccc(cc1)C1CC(=O)C(C(=O)C1)C(C1C(=O)CC(CC1=O)c1ccc(cc1)OC)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 569.61
Empirical Formula: C33H31NO8

Physical State: Dry powder
Available Amount: 339 mg

Lipinsky:
logP: 4.226
Rotatable bonds: 2
H-donors: 0
H-acceptors: 8
PSA: 132
Number of rings: 5

     

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