COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL051904
Chemical Name: 3,3'-(biphenyl-4,4'-diyldiimino)bis(2-butanoyl-5,5-dimethylcyclohex-2-en-1-one)
Smiles: CCCC(=O)C1=C(Nc2ccc(cc2)c2ccc(cc2)NC2=C(C(=O)CCC)C(=O)CC(C2)(C)C)CC(CC1=O)(C)C

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Molecular Weight: 568.76
Empirical Formula: C36H44N2O4

Physical State: Dry powder
Available Amount: 77 mg

Lipinsky:
logP: 6.521
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 92
Number of rings: 4

     

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