COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK775466
Chemical Name: 2-(4-{4,4-dimethyl-2-[(4-nitrophenyl)amino]-6-oxocyclohex-1-en-1-yl}-4-oxobutyl)-1H-isoindole-1,3(2H)-dione
Smiles: O=C(C1=C(Nc2ccc(cc2)[N+](=O)[O-])CC(CC1=O)(C)C)CCCN1C(=O)c2c(C1=O)cccc2

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Molecular Weight: 475.5
Empirical Formula: C26H25N3O6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.446
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 129
Number of rings: 4

     

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