COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK992877
Chemical Name: (2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylidene]-6-hydroxy-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3(2H)-one
Smiles: Clc1cc(/C=C/2\Oc3c(C2=O)ccc(c3CN2CCCC2)O)c2c(c1)COCO2

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Molecular Weight: 413.86
Empirical Formula: C22H20ClNO5

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 2.841
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 68
Number of rings: 5

     

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