COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK097052
Chemical Name: 2-{[(3,4-dimethoxyphenyl)amino]methylidene}-5-phenylcyclohexane-1,3-dione
Smiles: COc1cc(N/C=C/2\C(=O)CC(CC2=O)c2ccccc2)ccc1OC

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Molecular Weight: 351.4
Empirical Formula: C21H21NO4

Physical State: Dry powder
Available Amount: 578 mg

Lipinsky:
logP: 2.455
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 64
Number of rings: 3

     

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