COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK971336
Chemical Name: 4,4'-(benzene-1,2-diyldinitrilo)bis[2,6-di(propan-2-yl)cyclohexa-2,5-dien-1-one]
Smiles: CC(C1=C/C(=N/c2ccccc2/N=C/2\C=C(C(C)C)C(=O)C(=C2)C(C)C)/C=C(C1=O)C(C)C)C

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Molecular Weight: 456.63
Empirical Formula: C30H36N2O2

Available Amount: 0 mg

Lipinsky:
logP: 7.877
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 58
Number of rings: 3

     

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