COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL540516
Chemical Name: (3aS,6R,7R,7aS)-N-(2,5-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Smiles: O=C([C@H]1[C@@H]2C=C[C@@]3([C@H]1C(=O)N(C3)CCc1c[nH]c3c1cccc3)O2)Nc1cc(C)ccc1C

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Molecular Weight: 441.53
Empirical Formula: C27H27N3O3

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 4.366
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 74
Number of rings: 6

     

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