
 CHEMBL384362

 54 58  0  0  0  0  0  0  0  0999 V2000
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   -0.8209    1.2793    1.2441 H   0  0  0  0  0
    0.3162    0.1715    0.3946 H   0  0  0  0  0
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  2 35  1  0  0  0
  3  4  1  0  0  0
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  3 37  1  0  0  0
  4  5  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL384362

>  <PubChem CID>
44417973

>  <Formula>
C24H22F3N3O2

>  <Molecular Weight>
441.454000

>  <IUPAC Name>
N-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1C2CN(C1CO2)C3=NC4=C(C=C3)C=C(C=C4)NC(=O)CCC5=CC=C(C=C5)C(F)(F)F

>  <Isomeric SMILES>
C1C2CN(C1CO2)C3=NC4=C(C=C3)C=C(C=C4)NC(=O)CCC5=CC=C(C=C5)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C24H22F3N3O2/c25-24(26,27)17-5-1-15(2-6-17)3-10-23(31)28-18-7-8-21-16(11-18)4-9-22(29-21)30-13-20-12-19(30)14-32-20/h1-2,4-9,11,19-20H,3,10,12-14H2,(H,28,31)

>  <InChI Key>
DCTXDZRQZOKNLS-UHFFFAOYSA-N

