COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK719180
Chemical Name: (5Z)-1-(butan-2-yl)-5-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methylidene]-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Smiles: CCC(N1C(=O)/C(=C\Nc2ccc3c(c2)OCCO3)/C(=C(C1=O)C#N)C)C

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Molecular Weight: 367.4
Empirical Formula: C20H21N3O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.828
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 91
Number of rings: 3

     

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