COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK681213
Chemical Name: 3-{[2-(3,4-diethoxyphenyl)ethyl]amino}-2-propanoylcyclohex-2-en-1-one
Smiles: CCOc1cc(CCNC2=C(C(=O)CC)C(=O)CCC2)ccc1OCC

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Molecular Weight: 359.47
Empirical Formula: C21H29NO4

Physical State: Dry powder
Available Amount: 64 mg

Lipinsky:
logP: 3.268
Rotatable bonds: 9
H-donors: 1
H-acceptors: 4
PSA: 64
Number of rings: 2

     

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