COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL152636
Chemical Name: 4-[2-({2-[(2-hydroxyethyl)amino]ethyl}amino)-3,4-dioxocyclobut-1-en-1-yl]piperazine-1-carbaldehyde
Smiles: OCCNCCNC1=C(C(=O)C1=O)N1CCN(CC1)C=O

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Molecular Weight: 296.33
Empirical Formula: C13H20N4O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -2.781
Rotatable bonds: 6
H-donors: 3
H-acceptors: 4
PSA: 101
Number of rings: 2

     

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