COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL328270
Chemical Name: 3-[(2-methoxyphenyl)amino]-5,5-dimethyl-2-pentanoylcyclohex-2-en-1-one
Smiles: CCCCC(=O)C1=C(Nc2ccccc2OC)CC(CC1=O)(C)C

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Molecular Weight: 329.44
Empirical Formula: C20H27NO3

Physical State: Dry powder
Available Amount: 65 mg

Lipinsky:
logP: 3.615
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 55
Number of rings: 2

     

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