COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK059311
Chemical Name: 3-[(4-bromophenyl)amino]-5-(3,4-dimethoxyphenyl)cyclohex-2-en-1-one
Smiles: COc1cc(ccc1OC)C1CC(=CC(=O)C1)Nc1ccc(cc1)Br

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Molecular Weight: 402.29
Empirical Formula: C20H20BrNO3

Physical State: Dry powder
Available Amount: 402 mg

Lipinsky:
logP: 4.119
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 47
Number of rings: 3

     

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