
 CHEMBL1081534

 57 60  0  0  0  0  0  0  0  0999 V2000
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    5.3158    1.3086   -0.3664 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1081534

>  <PubChem CID>
46879377

>  <Formula>
C26H23F3N2O3

>  <Molecular Weight>
468.476000

>  <IUPAC Name>
N-[(2S,4R)-2-methyl-1-[3-(trifluoromethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1CC(C2=CC=CC=C2N1C(=O)C3=CC(=CC=C3)OC(F)(F)F)N(C4=CC=CC=C4)C(=O)C

>  <Isomeric SMILES>
C[C@H]1C[C@H](C2=CC=CC=C2N1C(=O)C3=CC(=CC=C3)OC(F)(F)F)N(C4=CC=CC=C4)C(=O)C

>  <InChI Std. ID>
InChI=1S/C26H23F3N2O3/c1-17-15-24(31(18(2)32)20-10-4-3-5-11-20)22-13-6-7-14-23(22)30(17)25(33)19-9-8-12-21(16-19)34-26(27,28)29/h3-14,16-17,24H,15H2,1-2H3/t17-,24+/m0/s1

>  <InChI Key>
APNWRWKPGBJTMO-BXKMTCNYSA-N

