COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL006558
Chemical Name: 2-{[(4-methylphenyl)amino]methylidene}-5-(3,4,5-trimethoxyphenyl)cyclohexane-1,3-dione
Smiles: COc1cc(cc(c1OC)OC)C1CC(=O)/C(=C/Nc2ccc(cc2)C)/C(=O)C1

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Molecular Weight: 395.46
Empirical Formula: C23H25NO5

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 2.239
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 73
Number of rings: 3

     

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