COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL009946
Chemical Name: (3aS,6R)-2-[2-(3,4-dimethoxyphenyl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylicacid
Smiles: COc1cc(CCN2CC34C(C2=O)C(C(O4)C=C3)C(=O)O)ccc1OC

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Molecular Weight: 359.38
Empirical Formula: C19H21NO6

Physical State: Dry powder
Available Amount: 1000 mg

Lipinsky:
logP: 1.891
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 85
Number of rings: 4

     

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