COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL312801
Chemical Name: 1-oxo-N-[(2E)-1,3,4-thiadiazol-2(3H)-ylidene]-2-(3,4,5-trifluorophenyl)-1,2-dihydroisoquinoline-4-carboxamide
Smiles: O=C(c1cn(c2cc(F)c(c(c2)F)F)c(=O)c2c1cccc2)/N=c\1/scn[nH]1

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Molecular Weight: 402.36
Empirical Formula: C18H9F3N4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.866
Rotatable bonds: 1
H-donors: 1
H-acceptors: 2
PSA: 99
Number of rings: 4

     

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