COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK604832
Chemical Name: (3aS,6R)-1-oxo-2-(tetrahydrofuran-2-ylmethyl)-N-(3,4,5-trimethoxyphenyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Smiles: COc1cc(NC(=O)C2[C@@H]3C=C[C@@]4(C2C(=O)N(C4)CC2CCCO2)O3)cc(c1OC)OC

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Molecular Weight: 444.48
Empirical Formula: C23H28N2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.378
Rotatable bonds: 5
H-donors: 1
H-acceptors: 7
PSA: 95
Number of rings: 5

     

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