COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL425996
Chemical Name: N-[(2E)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2(3H)-ylidene]-2-(5-methoxy-2-methyl-4-oxopyridin-1(4H)-yl)acetamide
Smiles: COc1cn(CC(=O)/N=c\2/scc([nH]2)c2ccc3c(c2)OCCCO3)c(cc1=O)C

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Molecular Weight: 427.48
Empirical Formula: C21H21N3O5S

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 3.275
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 114
Number of rings: 4

     

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