
 CHEMBL1823618

 56 60  0  0  0  0  0  0  0  0999 V2000
   -2.6172    1.5596    0.6130 C   0  0  0  0  0
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    3.1662   -7.4520    2.0485 N   0  0  0  0  0
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    1.7277   -5.6603    5.3847 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  2 32  1  0  0  0
  3  4  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 35  1  0  0  0
  5  6  1  0  0  0
  5 36  1  0  0  0
  5 37  1  0  0  0
  6 38  1  0  0  0
  6 39  1  0  0  0
  7  8  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1823618

>  <PubChem CID>
56672403

>  <Formula>
C23H28N4O

>  <Molecular Weight>
376.504000

>  <IUPAC Name>
5-[1-(cyclohexylmethyl)piperidin-4-yl]-3-quinolin-2-yl-1,2,4-oxadiazole

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CCC(CC1)CN2CCC(CC2)C3=NC(=NO3)C4=NC5=CC=CC=C5C=C4

>  <Isomeric SMILES>
C1CCC(CC1)CN2CCC(CC2)C3=NC(=NO3)C4=NC5=CC=CC=C5C=C4

>  <InChI Std. ID>
InChI=1S/C23H28N4O/c1-2-6-17(7-3-1)16-27-14-12-19(13-15-27)23-25-22(26-28-23)21-11-10-18-8-4-5-9-20(18)24-21/h4-5,8-11,17,19H,1-3,6-7,12-16H2

>  <InChI Key>
BWCISGZFKCVWPX-UHFFFAOYSA-N

