COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL152374
Chemical Name: 4-{2-[(2-chlorobenzyl)amino]-3,4-dioxocyclobut-1-en-1-yl}piperazine-1-carbaldehyde
Smiles: O=CN1CCN(CC1)C1=C(C(=O)C1=O)NCc1ccccc1Cl

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Molecular Weight: 333.77
Empirical Formula: C16H16ClN3O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.5
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 69
Number of rings: 3

     

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