COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL309274
Chemical Name: N-[(2E)-5-(methoxymethyl)-1,3,4-thiadiazol-2(3H)-ylidene]-1-oxo-2-(3,4,5-trifluorophenyl)-1,2-dihydroisoquinoline-4-carboxamide
Smiles: COCc1n[nH]/c(=N\C(=O)c2cn(c3cc(F)c(c(c3)F)F)c(=O)c3c2cccc3)/s1

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Molecular Weight: 446.41
Empirical Formula: C20H13F3N4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.598
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 108
Number of rings: 4

     

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