COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK763467
Chemical Name: 1,1'-{4-[(4-bromophenyl)amino]-2-(3,4-dimethoxyphenyl)-6-hydroxy-6-methylcyclohex-3-ene-1,3-diyl}diethanone
Smiles: COc1cc(ccc1OC)C1C(=C(Nc2ccc(cc2)Br)CC(C1C(=O)C)(C)O)C(=O)C

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Molecular Weight: 502.41
Empirical Formula: C25H28BrNO5

Physical State: Dry powder
Available Amount: 13 mg

Lipinsky:
logP: 4.71
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 84
Number of rings: 3

     

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