COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL314501
Chemical Name: 3-[4-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-4-oxobutyl]-1,2,3-benzotriazin-4(3H)-one
Smiles: O=C(N1CCC2(C(C1)CCCC2)O)CCCn1nnc2c(c1=O)cccc2

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Molecular Weight: 370.45
Empirical Formula: C20H26N4O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.891
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 85
Number of rings: 4

     

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