
 CHEMBL1823585

 54 58  0  0  0  0  0  0  0  0999 V2000
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    7.0934    0.8552   -0.0814 C   0  0  0  0  0
    6.9825    1.6948    0.9634 N   0  0  0  0  0
    5.6099    1.8639    1.1159 O   0  0  0  0  0
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    9.4766    1.1160   -0.3334 N   0  0  0  0  0
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   -1.2033   -4.0717   -0.7268 Cl  0  0  0  0  0
    1.3112    1.0764    1.7307 H   0  0  0  0  0
    1.0010   -0.6616    1.6537 H   0  0  0  0  0
    0.7990    0.3324    0.2061 H   0  0  0  0  0
    3.4049   -0.2564    1.7040 H   0  0  0  0  0
    2.4763   -2.1524    0.3448 H   0  0  0  0  0
    4.0684   -1.6444   -0.1685 H   0  0  0  0  0
    4.2271   -0.2248   -2.3955 H   0  0  0  0  0
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  1  2  1  0  0  0
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  1 34  1  0  0  0
  1 35  1  0  0  0
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  2  3  1  0  0  0
  2 36  1  0  0  0
  3  4  1  0  0  0
  3 37  1  0  0  0
  3 38  1  0  0  0
  4  5  1  0  0  0
  4 23  1  0  0  0
  5  6  1  0  0  0
  5 39  1  0  0  0
  5 40  1  0  0  0
  6  7  1  0  0  0
  6 41  1  0  0  0
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  7  8  1  0  0  0
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  8 12  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1823585

>  <PubChem CID>
44629065

>  <Formula>
C24H22ClN5O2

>  <Molecular Weight>
447.923000

>  <IUPAC Name>
N-(2-chlorophenyl)-3-methyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1CN(CCC1C2=NC(=NO2)C3=NC4=CC=CC=C4C=C3)C(=O)NC5=CC=CC=C5Cl

>  <Isomeric SMILES>
CC1CN(CCC1C2=NC(=NO2)C3=NC4=CC=CC=C4C=C3)C(=O)NC5=CC=CC=C5Cl

>  <InChI Std. ID>
InChI=1S/C24H22ClN5O2/c1-15-14-30(24(31)27-20-9-5-3-7-18(20)25)13-12-17(15)23-28-22(29-32-23)21-11-10-16-6-2-4-8-19(16)26-21/h2-11,15,17H,12-14H2,1H3,(H,27,31)

>  <InChI Key>
BMMFFGHJPCJSJK-UHFFFAOYSA-N

