COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL408860
Chemical Name: 3-[(2-chlorobenzyl)amino]-4-[(3,4-dimethoxybenzyl)amino]cyclobut-3-ene-1,2-dione
Smiles: COc1cc(CNC2=C(C(=O)C2=O)NCc2ccccc2Cl)ccc1OC

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Molecular Weight: 386.83
Empirical Formula: C20H19ClN2O4

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 2.567
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 76
Number of rings: 3

     

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