COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL550000
Chemical Name: N-(cyanomethyl)-3-(6-hydroxy-1,3-benzodioxol-5-yl)-3-(4-oxo-4H-chromen-3-yl)propanamide
Smiles: N#CCNC(=O)CC(c1coc2c(c1=O)cccc2)c1cc2OCOc2cc1O

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Molecular Weight: 392.37
Empirical Formula: C21H16N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.339
Rotatable bonds: 6
H-donors: 2
H-acceptors: 6
PSA: 117
Number of rings: 4

     

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