COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL550887
Chemical Name: N~2~-[3-(6-hydroxy-1,3-benzodioxol-5-yl)-3-(4-oxo-4H-chromen-3-yl)propanoyl]-L-isoleucinamide
Smiles: CC[C@@H]([C@@H](C(=O)N)NC(=O)CC(c1coc2c(c1=O)cccc2)c1cc2OCOc2cc1O)C

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Molecular Weight: 466.49
Empirical Formula: C25H26N2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.8
Rotatable bonds: 8
H-donors: 4
H-acceptors: 7
PSA: 137
Number of rings: 4

     

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