COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK679835
Chemical Name: 3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-5,5-dimethyl-2-(phenylacetyl)cyclohex-2-en-1-one
Smiles: COc1cc(CCNC2=C(C(=O)CC(C2)(C)C)C(=O)Cc2ccccc2)ccc1OC

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Molecular Weight: 421.54
Empirical Formula: C26H31NO4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.632
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 64
Number of rings: 3

     

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