COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK939739
Chemical Name: 3-(1,3-benzodioxol-5-yl)-N-[(2Z)-6-methoxy-1,3-benzothiazol-2(3H)-ylidene]-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Smiles: COc1ccc2c(c1)s/c(=N\C(=O)C1c3ccccc3C(=O)N(C1c1ccc3c(c1)OCO3)C)/[nH]2

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Molecular Weight: 487.54
Empirical Formula: C26H21N3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.704
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 114
Number of rings: 6

     

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