COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL154948
Chemical Name: 3-[4-(2-{[2-(3-methyl-1H-pyrazol-1-yl)ethyl]amino}-3,4-dioxocyclobut-1-en-1-yl)piperazin-1-yl]propanenitrile
Smiles: N#CCCN1CCN(CC1)C1=C(C(=O)C1=O)NCCn1ccc(n1)C

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Molecular Weight: 342.4
Empirical Formula: C17H22N6O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -0.462
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 94
Number of rings: 3

     

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