COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL246350
Chemical Name: 2-(3-methylbutyl)-4-({4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}carbonyl)isoquinolin-1(2H)-one
Smiles: CC(CCn1cc(C(=O)N2CCN(CC2)CCc2ccccn2)c2c(c1=O)cccc2)C

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Molecular Weight: 432.57
Empirical Formula: C26H32N4O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.942
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 56
Number of rings: 4

     

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