COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL157940
Chemical Name: 3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-[(pyridin-2-ylmethyl)amino]cyclobut-3-ene-1,2-dione
Smiles: COc1cc(CCNC2=C(C(=O)C2=O)NCc2ccccn2)ccc1OC

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Molecular Weight: 367.4
Empirical Formula: C20H21N3O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.747
Rotatable bonds: 7
H-donors: 2
H-acceptors: 4
PSA: 89
Number of rings: 3

     

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