COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL156462
Chemical Name: 3-(1,3-benzodioxol-5-yl)-N-[(2Z)-5-tert-butyl-1,3,4-thiadiazol-2(3H)-ylidene]-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Smiles: O=C(C1c2ccccc2C(=O)N(C1c1ccc2c(c1)OCO2)C)/N=c\1/[nH]nc(s1)C(C)(C)C

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Molecular Weight: 464.55
Empirical Formula: C24H24N4O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.381
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 117
Number of rings: 5

     

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