COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL249685
Chemical Name: 2-(2-methoxyethyl)-1-oxo-N-[(2E)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]-1,2-dihydroisoquinoline-4-carboxamide
Smiles: COCCn1cc(C(=O)/N=c/2\[nH]nc(s2)C(C)C)c2c(c1=O)cccc2

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Molecular Weight: 372.45
Empirical Formula: C18H20N4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.88
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 108
Number of rings: 3

     

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