COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK539521
Chemical Name: (8S,8aR)-6-amino-8-[2-(trifluoromethyl)phenyl]-8,8a-dihydro-1H-isochromene-5,7,7(3H)-tricarbonitrile
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCOC2)c1ccccc1C(F)(F)F)(C#N)C#N

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Molecular Weight: 370.33
Empirical Formula: C19H13F3N4O

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.678
Rotatable bonds: 0
H-donors: 2
H-acceptors: 1
PSA: 106
Number of rings: 3

     

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