COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK719178
Chemical Name: (5Z)-5-[(1,3-benzodioxol-5-ylamino)methylidene]-4-methyl-1-(3-methylbutyl)-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Smiles: N#CC1=C(C)/C(=C/Nc2ccc3c(c2)OCO3)/C(=O)N(C1=O)CCC(C)C

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Molecular Weight: 367.4
Empirical Formula: C20H21N3O4

Physical State: Dry powder
Available Amount: 318 mg

Lipinsky:
logP: 3.522
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 91
Number of rings: 3

     

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