COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK053851
Chemical Name: methyl2,7,7-trimethyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: COC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)C(F)(F)F)C(=O)CC(C2)(C)C

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Molecular Weight: 393.41
Empirical Formula: C21H22F3NO3

Physical State: Dry powder
Available Amount: 178 mg

Lipinsky:
logP: 3.248
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 55
Number of rings: 3

     

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