COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL249858
Chemical Name: N-[(2E)-5-(methoxymethyl)-1,3,4-thiadiazol-2(3H)-ylidene]-2-(3-methylbutyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Smiles: COCc1n[nH]/c(=N\C(=O)c2cn(CCC(C)C)c(=O)c3c2cccc3)/s1

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Molecular Weight: 386.47
Empirical Formula: C19H22N4O3S

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 2.775
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 108
Number of rings: 3

     

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