
 SCHEMBL2194142

 39 43  0  0  0  0  0  0  0  0999 V2000
   -0.5583    1.1504    1.2467 C   0  0  0  0  0
    0.8982    0.8031    0.9066 C   0  0  0  0  0
    1.1898    1.2021   -0.5495 C   0  0  0  0  0
    0.2394    0.4588   -1.5029 C   0  0  0  0  0
   -1.2129    0.8079   -1.1484 C   0  0  0  0  0
   -1.5077    0.3997    0.3019 C   0  0  0  0  0
   -1.2839   -1.1142    0.4581 C   0  0  0  0  0
    0.1862   -1.5132    0.1137 C   0  0  0  0  0
    1.1129   -0.7117    1.0703 C   0  0  0  0  0
    0.4499   -1.0574   -1.3495 C   0  0  0  0  0
    0.4325   -2.9555    0.2538 N   0  0  0  0  0
   -0.4741   -3.9168    0.6578 C   0  0  0  0  0
    0.0436   -5.1308    0.6787 N   0  0  0  0  0
    1.3190   -4.9464    0.2800 C   0  0  0  0  0
    1.6015   -3.6336    0.0130 C   0  0  0  0  0
    2.8539   -3.2385   -0.4050 N   0  0  0  0  0
    3.8910   -4.2175   -0.5725 C   0  0  0  0  0
    4.9849   -3.8394   -0.9449 O   0  0  0  0  0
    3.5340   -5.6292   -0.2720 C   0  0  0  0  0
    2.2959   -5.9534    0.1356 C   0  0  0  0  0
   -0.7750    0.8825    2.2881 H   0  0  0  0  0
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    1.5724    1.3447    1.5796 H   0  0  0  0  0
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    0.4476    0.7561   -2.5369 H   0  0  0  0  0
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   -2.5461    0.6465    0.5502 H   0  0  0  0  0
   -1.9869   -1.6478   -0.1955 H   0  0  0  0  0
   -1.5266   -1.4042    1.4891 H   0  0  0  0  0
    0.9214   -1.0039    2.1116 H   0  0  0  0  0
    2.1681   -0.9387    0.8802 H   0  0  0  0  0
    1.4714   -1.3003   -1.6626 H   0  0  0  0  0
   -0.2152   -1.5970   -2.0370 H   0  0  0  0  0
   -1.4995   -3.6935    0.9268 H   0  0  0  0  0
    3.0932   -2.2789   -0.6056 H   0  0  0  0  0
    4.3182   -6.3643   -0.3993 H   0  0  0  0  0
    2.0260   -6.9810    0.3575 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2  9  1  0  0  0
  2 23  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4 10  1  0  0  0
  4 26  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  5 28  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  8  9  1  0  0  0
  8 10  1  0  0  0
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  9 32  1  0  0  0
  9 33  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL2194142

>  <PubChem CID>
58345719

>  <Formula>
C16H19N3O

>  <Molecular Weight>
269.348000

>  <IUPAC Name>
3-(1-adamantyl)-4H-imidazo[4,5-b]pyridin-5-one

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1C2CC3CC1CC(C2)(C3)N4C=NC5=C4NC(=O)C=C5

>  <Isomeric SMILES>
C1C2CC3CC1CC(C2)(C3)N4C=NC5=C4NC(=O)C=C5

>  <InChI Std. ID>
InChI=1S/C16H19N3O/c20-14-2-1-13-15(18-14)19(9-17-13)16-6-10-3-11(7-16)5-12(4-10)8-16/h1-2,9-12H,3-8H2,(H,18,20)

>  <InChI Key>
MZKHGNTZVUCVHQ-UHFFFAOYSA-N

