COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL058388
Chemical Name: 2-(1,3-benzodioxol-5-ylmethyl)-1-oxo-N-(3,4,5-trimethoxyphenyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Smiles: COc1cc(NC(=O)C2C3C=CC4(C2C(=O)N(C4)Cc2ccc4c(c2)OCO4)O3)cc(c1OC)OC

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Molecular Weight: 494.5
Empirical Formula: C26H26N2O8

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 2.932
Rotatable bonds: 5
H-donors: 1
H-acceptors: 8
PSA: 104
Number of rings: 6

     

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