COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL158786
Chemical Name: N-[(2Z)-5-(4-methoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Smiles: COc1ccc(cc1)Cc1n[nH]/c(=N/C(=O)c2cn(C)c(=O)c3c2cccc3)/s1

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Molecular Weight: 406.47
Empirical Formula: C21H18N4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.683
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 108
Number of rings: 4

     

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