COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK992980
Chemical Name: (2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-ylthiophene-2-carboxylate
Smiles: Clc1cc(/C=C/2\Oc3c(C2=O)ccc(c3)OC(=O)c2cccs2)c2c(c1)COCO2

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Molecular Weight: 440.86
Empirical Formula: C22H13ClO6S

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 4.402
Rotatable bonds: 4
H-donors: 0
H-acceptors: 6
PSA: 99
Number of rings: 5

     

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