COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL537970
Chemical Name: (3aS,6R,7R,7aS)-2-[2-(1H-indol-3-yl)ethyl]-N-(2-methoxybenzyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Smiles: COc1ccccc1CNC(=O)[C@H]1[C@@H]2C=C[C@@]3([C@H]1C(=O)N(C3)CCc1c[nH]c3c1cccc3)O2

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Molecular Weight: 457.53
Empirical Formula: C27H27N3O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.02
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 83
Number of rings: 6

     

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