COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL411228
Chemical Name: 3-[(3,4-dimethoxybenzyl)amino]-4-{[(2R)-2-hydroxypropyl]amino}cyclobut-3-ene-1,2-dione
Smiles: COc1cc(CNC2=C(C(=O)C2=O)NC[C@H](O)C)ccc1OC

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Molecular Weight: 320.35
Empirical Formula: C16H20N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.235
Rotatable bonds: 7
H-donors: 3
H-acceptors: 5
PSA: 96
Number of rings: 2

     

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