COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL153112
Chemical Name: 3-(4-{2-[(2-hydroxyethyl)amino]-3,4-dioxocyclobut-1-en-1-yl}piperazin-1-yl)propanenitrile
Smiles: OCCNC1=C(C(=O)C1=O)N1CCN(CC1)CCC#N

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Molecular Weight: 278.31
Empirical Formula: C13H18N4O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -1.455
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 96
Number of rings: 2

     

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