COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK683301
Chemical Name: 2-{4-[2-(hexylamino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl]-4-oxobutyl}-1H-isoindole-1,3(2H)-dione
Smiles: CCCCCCNC1=C(C(=O)CCCN2C(=O)c3c(C2=O)cccc3)C(=O)CC(C1)(C)C

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Molecular Weight: 438.57
Empirical Formula: C26H34N2O4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.298
Rotatable bonds: 9
H-donors: 1
H-acceptors: 4
PSA: 83
Number of rings: 3

     

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