COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL051827
Chemical Name: 2,5-bis(1H-benzotriazol-1-yl)-3,6-bis[(2-methoxyphenyl)amino]cyclohexa-2,5-diene-1,4-dione
Smiles: COc1ccccc1NC1=C(n2nnc3c2cccc3)C(=O)C(=C(C1=O)n1nnc2c1cccc2)Nc1ccccc1OC

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Molecular Weight: 584.59
Empirical Formula: C32H24N8O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.488
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 138
Number of rings: 7

     

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