COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL250440
Chemical Name: N-[(2E)-5-(methoxymethyl)-1,3,4-thiadiazol-2(3H)-ylidene]-2-[2-(4-methoxyphenyl)ethyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Smiles: COCc1n[nH]/c(=N\C(=O)c2cn(CCc3ccc(cc3)OC)c(=O)c3c2cccc3)/s1

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Molecular Weight: 450.52
Empirical Formula: C23H22N4O4S

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 2.941
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 117
Number of rings: 4

     

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