
 CHEMBL1771692

 44 47  0  0  0  0  0  0  0  0999 V2000
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    1.5487    0.7882   -1.0692 C   0  0  0  0  0
    0.0774    0.3632   -1.0280 C   0  0  0  0  0
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    0.3510   -3.4025   -0.8810 C   0  0  0  0  0
    1.0743   -4.3525   -0.3276 N   0  0  0  0  0
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    0.7514   -0.1639    3.3061 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1771692

>  <PubChem CID>
54584566

>  <Formula>
C20H16F3N3O2

>  <Molecular Weight>
387.362000

>  <IUPAC Name>
(2,4-difluorophenyl)-[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CCN(C(C1)C2=NC(=NO2)C3=CC(=CC=C3)F)C(=O)C4=C(C=C(C=C4)F)F

>  <Isomeric SMILES>
C1CCN([C@H](C1)C2=NC(=NO2)C3=CC(=CC=C3)F)C(=O)C4=C(C=C(C=C4)F)F

>  <InChI Std. ID>
InChI=1S/C20H16F3N3O2/c21-13-5-3-4-12(10-13)18-24-19(28-25-18)17-6-1-2-9-26(17)20(27)15-8-7-14(22)11-16(15)23/h3-5,7-8,10-11,17H,1-2,6,9H2/t17-/m1/s1

>  <InChI Key>
ANJUXADOTBHXPQ-QGZVFWFLSA-N

