COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL249088
Chemical Name: N-[(2E)-5-(methoxymethyl)-1,3,4-thiadiazol-2(3H)-ylidene]-2-(2-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Smiles: COCc1n[nH]/c(=N\C(=O)c2cn(c3ccccc3OC)c(=O)c3c2cccc3)/s1

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Molecular Weight: 422.46
Empirical Formula: C21H18N4O4S

Physical State: Dry powder
Available Amount: 248 mg

Lipinsky:
logP: 2.501
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 117
Number of rings: 4

     

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