
 CHEMBL215131

 59 63  0  0  0  0  0  0  0  0999 V2000
    2.1534   -0.6037   -0.4829 C   0  0  0  0  0
    0.6889   -0.3679   -0.8839 C   0  0  0  0  0
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    2.6839    2.8768    2.8038 N   0  0  0  0  0
    4.0179    2.8581    2.9909 C   0  0  0  0  0
    4.7715    1.6777    2.7937 C   0  0  0  0  0
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    6.1651    1.6844    2.9675 C   0  0  0  0  0
    6.8233    2.8524    3.3383 C   0  0  0  0  0
    6.0896    4.0139    3.5525 C   0  0  0  0  0
    4.6910    4.0155    3.3991 C   0  0  0  0  0
    3.9265    5.2807    3.6991 C   0  0  0  0  0
    3.7408    6.0973    2.5202 N   0  0  0  0  0
    3.5768    7.4605    2.6269 C   0  0  0  0  0
    3.7313    8.0802    3.6735 O   0  0  0  0  0
    3.2213    8.1966    1.3936 C   0  0  0  0  0
    3.6061    9.5222    1.2813 C   0  0  0  0  0
    3.3485   10.2992    0.1979 N   0  0  0  0  0
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    2.2074    8.4388   -0.7800 C   0  0  0  0  0
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    1.5120   11.1738   -4.2181 C   0  0  0  0  0
    1.7005   10.2957   -3.1448 C   0  0  0  0  0
    1.8635   13.2923   -5.1914 F   0  0  0  0  0
    2.6515   -1.1387   -1.3029 H   0  0  0  0  0
    2.6806    0.3523   -0.3938 H   0  0  0  0  0
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   -0.5215   -1.9344    0.9122 H   0  0  0  0  0
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    2.0132   -3.2604   -0.2279 H   0  0  0  0  0
    2.0689   -1.4145    2.8235 H   0  0  0  0  0
    0.8485   -0.4964    1.9696 H   0  0  0  0  0
    0.9845    1.8151    2.3589 H   0  0  0  0  0
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    4.4491    5.8568    4.4732 H   0  0  0  0  0
    2.9351    5.0591    4.1114 H   0  0  0  0  0
    3.5465    5.6093    1.6573 H   0  0  0  0  0
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    1.2639    9.3052   -3.2367 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
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  3  4  1  0  0  0
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  5 42  1  0  0  0
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  8 13  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL215131

>  <PubChem CID>
44416650

>  <Formula>
C27H25FN4O2

>  <Molecular Weight>
456.521000

>  <IUPAC Name>
6-(4-fluorophenyl)-N-[[3-(morpholin-4-ylmethyl)quinolin-8-yl]methyl]pyridine-3-carboxamide

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1COCCN1CC2=CN=C3C(=C2)C=CC=C3CNC(=O)C4=CN=C(C=C4)C5=CC=C(C=C5)F

>  <Isomeric SMILES>
C1COCCN1CC2=CN=C3C(=C2)C=CC=C3CNC(=O)C4=CN=C(C=C4)C5=CC=C(C=C5)F

>  <InChI Std. ID>
InChI=1S/C27H25FN4O2/c28-24-7-4-20(5-8-24)25-9-6-23(17-29-25)27(33)31-16-22-3-1-2-21-14-19(15-30-26(21)22)18-32-10-12-34-13-11-32/h1-9,14-15,17H,10-13,16,18H2,(H,31,33)

>  <InChI Key>
ANSMNWSPUJNZNM-UHFFFAOYSA-N

