COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL171126
Chemical Name: 2-amino-7,7-dimethyl-5-oxo-4-[4-(prop-2-en-1-yloxy)phenyl]-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: C=CCOc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CC(C2)(C)C)c1cccc(c1)C(F)(F)F)C#N

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Molecular Weight: 493.53
Empirical Formula: C28H26F3N3O2

Physical State: Dry powder
Available Amount: 39 mg

Lipinsky:
logP: 4.847
Rotatable bonds: 2
H-donors: 2
H-acceptors: 2
PSA: 79
Number of rings: 4

     

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