COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL069867
Chemical Name: 3-methyl-N-[5-(3-nitrobenzyl)-1,3-thiazol-2-yl]-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide
Smiles: O=C(C1(C)OC(=O)c2c(C1)cccc2)Nc1ncc(s1)Cc1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 423.45
Empirical Formula: C21H17N3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.848
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 142
Number of rings: 4

     

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