COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL008867
Chemical Name: (5Z)-5-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methylidene]-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Smiles: N#CC1=C(C)/C(=C/Nc2ccc3c(c2)OCCO3)/C(=O)N(C1=O)C1CCS(=O)(=O)C1

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Molecular Weight: 429.45
Empirical Formula: C20H19N3O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -0.088
Rotatable bonds: 1
H-donors: 1
H-acceptors: 6
PSA: 134
Number of rings: 4

     

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