COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL079912
Chemical Name: ethyl4-({[5-(3,4-dihydroisoquinolin-2(1H)-yl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetyl}amino)benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)Cn1nc2n(c1=O)c(nc(c2)C)N1CCc2c(C1)cccc2

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Molecular Weight: 486.53
Empirical Formula: C26H26N6O4

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 2.385
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 106
Number of rings: 5

     

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