
 CHEMBL398779

 60 64  0  0  0  0  0  0  0  0999 V2000
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    1.3712    3.0262    4.1919 C   0  0  0  0  0
    2.0530    2.8044    5.5521 C   0  0  0  0  0
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    0.9363    0.5314    5.6801 C   0  0  0  0  0
    3.2908    3.5513    5.6697 N   0  0  0  0  0
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    2.7041    5.0887    7.3666 O   0  0  0  0  0
    6.7073    4.3308    5.0473 N   0  0  0  0  0
    7.0427    3.4346    4.0871 C   0  0  0  0  0
    6.1634    2.4971    3.5313 C   0  0  0  0  0
    4.8418    2.4464    3.9808 C   0  0  0  0  0
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   -7.5745   -0.6102   -0.0347 H   0  0  0  0  0
   -7.8306    1.3312    1.5158 H   0  0  0  0  0
   -5.7687    2.4727    2.3368 H   0  0  0  0  0
   -0.6578    0.7768    2.1533 H   0  0  0  0  0
   -0.6318    2.5081    4.8487 H   0  0  0  0  0
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    6.5084    1.8132    2.7628 H   0  0  0  0  0
    4.1483    1.7287    3.5611 H   0  0  0  0  0
  1  8  1  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
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  2 37  1  0  0  0
  3  4  1  0  0  0
  3 15  1  0  0  0
  3 38  1  0  0  0
  4  6  1  0  0  0
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  6  7  1  0  0  0
  6 39  1  0  0  0
  7  8  1  0  0  0
  7 40  1  0  0  0
  7 41  1  0  0  0
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 33 60  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL398779

>  <PubChem CID>
23656586

>  <Formula>
C23H27N7O3

>  <Molecular Weight>
449.515000

>  <IUPAC Name>
4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[(3R)-2-oxo-6-pyridin-2-ylazepan-3-yl]piperidine-1-carboxamide

>  <XlogP>
0.5

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC(C(=O)NCC1C2=CC=CC=N2)NC(=O)N3CCC(CC3)N4C5=C(NC4=O)N=CC=C5

>  <Isomeric SMILES>
C1CC(CNC(=O)[C@@H]1NC(=O)N2CCC(CC2)N3C4=C(NC3=O)N=CC=C4)C5=CC=CC=N5

>  <InChI Std. ID>
InChI=1S/C23H27N7O3/c31-21-18(7-6-15(14-26-21)17-4-1-2-10-24-17)27-22(32)29-12-8-16(9-13-29)30-19-5-3-11-25-20(19)28-23(30)33/h1-5,10-11,15-16,18H,6-9,12-14H2,(H,26,31)(H,27,32)(H,25,28,33)/t15?,18-/m1/s1

>  <InChI Key>
DFQNEGLXPXMOFS-KPMSDPLLSA-N

