COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK545070
Chemical Name: 2,5-bis(1H-benzotriazol-1-yl)-3,6-bis{[3-(trifluoromethyl)phenyl]amino}cyclohexa-2,5-diene-1,4-dione
Smiles: O=C1C(=C(Nc2cccc(c2)C(F)(F)F)C(=O)C(=C1Nc1cccc(c1)C(F)(F)F)n1nnc2c1cccc2)n1nnc2c1cccc2

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Molecular Weight: 660.54
Empirical Formula: C32H18F6N8O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.397
Rotatable bonds: 0
H-donors: 2
H-acceptors: 2
PSA: 119
Number of rings: 7

     

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