COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL534909
Chemical Name: (3aS,6R)-2-(1,3-benzodioxol-5-ylmethyl)-N-[2-(1H-indol-3-yl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Smiles: O=C(C1[C@@H]2C=C[C@@]3(C1C(=O)N(C3)Cc1ccc3c(c1)OCO3)O2)NCCc1c[nH]c2c1cccc2

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Molecular Weight: 471.51
Empirical Formula: C27H25N3O5

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 2.854
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 92
Number of rings: 7

     

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