COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK789533
Chemical Name: 2-[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-8-methoxy-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl]-5,5-dimethylcyclohexane-1,3-dione
Smiles: COc1cc2C(=CC(N3c2c(c1)C(C1C(=O)CC(CC1=O)(C)C)(C1=C(O)CC(CC1=O)(C)C)C3=O)(C)C)C

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Molecular Weight: 519.64
Empirical Formula: C31H37NO6

Physical State: Dry powder
Available Amount: 307 mg

Lipinsky:
logP: 6.254
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 100
Number of rings: 5

     

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