COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK384283
Chemical Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylprop-2-en-1-yl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylicacid
Smiles: COc1cc(CCN2C(=O)C3C4(C2CC(=C)C)C=CC(C3C(=O)O)O4)ccc1OC

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Molecular Weight: 413.47
Empirical Formula: C23H27NO6

Physical State: Dry powder
Available Amount: 410 mg

Lipinsky:
logP: 3.717
Rotatable bonds: 9
H-donors: 1
H-acceptors: 6
PSA: 85
Number of rings: 4

     

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