COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL174364
Chemical Name: 2-amino-4-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(N)N(c2cccc(c2)C(F)(F)F)C2=C(C1c1ccc(c(c1)COc1ccc(c(c1)C)[N+](=O)[O-])OC)C(=O)CC(C2)(C)C

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Molecular Weight: 632.64
Empirical Formula: C34H31F3N4O5

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 5.969
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 134
Number of rings: 5

     

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