
 CHEMBL538307

 44 48  0  0  0  0  0  0  0  0999 V2000
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    0.2518    2.1985    0.4926 C   0  0  0  0  0
    0.9103    2.4160   -0.8788 C   0  0  0  0  0
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    0.5113    0.7548    0.9534 C   0  0  0  0  0
    0.5927   -0.0103   -1.4322 C   0  0  0  0  0
    0.1968   -1.6934    0.4235 C   0  0  0  0  0
    0.7909   -1.9425    1.4682 O   0  0  0  0  0
   -0.3010   -2.8217   -0.4269 C   0  0  0  0  0
    0.4820   -4.1060   -0.5098 C   0  0  0  0  0
   -0.8259   -4.0800    0.2467 C   0  0  0  0  0
   -2.0407   -4.7774   -0.3100 C   0  0  0  0  0
   -3.2686   -4.1291   -0.4615 C   0  0  0  0  0
   -4.4008   -4.6971   -0.9424 N   0  0  0  0  0
   -4.3224   -5.9991   -1.2828 C   0  0  0  0  0
   -3.1679   -6.7518   -1.1659 C   0  0  0  0  0
   -2.0220   -6.1300   -0.6730 C   0  0  0  0  0
   -1.7422    2.2902    1.3490 H   0  0  0  0  0
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   -3.1585   -7.7988   -1.4467 H   0  0  0  0  0
   -1.1061   -6.7065   -0.5655 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL538307

>  <PubChem CID>
25066816

>  <Formula>
C19H23NO

>  <Molecular Weight>
281.399000

>  <IUPAC Name>
1-adamantyl-(2-pyridin-3-ylcyclopropyl)methanone

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1C2CC3CC1CC(C2)(C3)C(=O)C4CC4C5=CN=CC=C5

>  <Isomeric SMILES>
C1C2CC3CC1CC(C2)(C3)C(=O)C4CC4C5=CN=CC=C5

>  <InChI Std. ID>
InChI=1S/C19H23NO/c21-18(17-7-16(17)15-2-1-3-20-11-15)19-8-12-4-13(9-19)6-14(5-12)10-19/h1-3,11-14,16-17H,4-10H2

>  <InChI Key>
BLSINDLRTIRLFV-UHFFFAOYSA-N

