COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK021308
Chemical Name: 2-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methylidene)-5-phenylcyclohexane-1,3-dione
Smiles: COc1cc(CCN/C=C/2\C(=O)CC(CC2=O)c2ccccc2)ccc1OC

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Molecular Weight: 379.46
Empirical Formula: C23H25NO4

Physical State: Dry powder
Available Amount: 98 mg

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

     

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