COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK683904
Chemical Name: 3-(benzylamino)-2-[(3,4-diethoxyphenyl)acetyl]cyclohex-2-en-1-one
Smiles: CCOc1cc(ccc1OCC)CC(=O)C1=C(CCCC1=O)NCc1ccccc1

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Molecular Weight: 407.51
Empirical Formula: C25H29NO4

Physical State: Dry powder
Available Amount: 64 mg

Lipinsky:
logP: 4.354
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 64
Number of rings: 3

     

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