COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL290853
Chemical Name: 5-(3,4-dimethoxyphenyl)-2-{[(2-phenylethyl)amino]methylidene}cyclohexane-1,3-dione
Smiles: COc1cc(ccc1OC)C1CC(=O)/C(=C/NCCc2ccccc2)/C(=O)C1

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Molecular Weight: 379.46
Empirical Formula: C23H25NO4

Physical State: Dry powder
Available Amount: 122 mg

Lipinsky:
logP: 2.924
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 64
Number of rings: 3

     

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