
 SCHEMBL1717163

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    1.4598    1.8084   -2.3503 N   0  0  0  0  0
    1.7966    3.0898   -1.8795 C   0  0  0  0  0
    1.0209    4.0452   -1.9729 O   0  0  0  0  0
    3.1026    3.3676   -1.2321 C   0  0  0  0  0
    3.6990    2.4954   -0.3100 C   0  0  0  0  0
    4.8733    2.8492    0.3569 C   0  0  0  0  0
    5.4735    4.0975    0.1434 C   0  0  0  0  0
    4.8759    5.0081   -0.7489 C   0  0  0  0  0
    3.7076    4.6277   -1.4103 C   0  0  0  0  0
    3.3101    5.7062   -2.1734 N   0  0  0  0  0
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    6.0118    6.9426   -0.8290 H   0  0  0  0  0
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    6.0042   -3.1596    2.1310 H   0  0  0  0  0
    5.6763   -1.8329    0.0224 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL1717163

>  <PubChem CID>
25127170

>  <Formula>
C21H22FN3O2

>  <Molecular Weight>
367.424000

>  <IUPAC Name>
[(2R,5R)-5-[(5-fluoropyridin-2-yl)oxymethyl]-2-methylpiperidin-1-yl]-(1H-indol-7-yl)methanone

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1CCC(CN1C(=O)C2=CC=CC3=C2NC=C3)COC4=NC=C(C=C4)F

>  <Isomeric SMILES>
C[C@@H]1CC[C@H](CN1C(=O)C2=CC=CC3=C2NC=C3)COC4=NC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C21H22FN3O2/c1-14-5-6-15(13-27-19-8-7-17(22)11-24-19)12-25(14)21(26)18-4-2-3-16-9-10-23-20(16)18/h2-4,7-11,14-15,23H,5-6,12-13H2,1H3/t14-,15-/m1/s1

>  <InChI Key>
AZVRNCHGYXJASK-HUUCEWRRSA-N

