
 CHEMBL3659242

 54 59  0  0  0  0  0  0  0  0999 V2000
   -1.4713   -1.2443   -0.1778 C   0  0  0  0  0
   -1.4933    0.2541   -0.5635 C   0  0  0  0  0
   -0.1811    0.7761    0.0499 C   0  0  0  0  0
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   -0.4082    0.1397    2.5505 C   0  0  0  0  0
   -0.3072   -0.7635    3.3832 O   0  0  0  0  0
   -0.8314    1.5074    3.0052 C   0  0  0  0  0
   -0.1413    2.5394    2.4369 N   0  0  0  0  0
   -0.3305    3.7848    2.8984 C   0  0  0  0  0
    0.3207    4.8449    2.2837 C   0  0  0  0  0
    0.1451    6.1630    2.7146 C   0  0  0  0  0
   -0.6911    6.4333    3.7919 C   0  0  0  0  0
   -1.3484    5.3856    4.4332 C   0  0  0  0  0
   -1.1766    4.0634    3.9889 C   0  0  0  0  0
   -1.8523    2.9924    4.5850 C   0  0  0  0  0
   -1.7151    1.6995    4.0598 C   0  0  0  0  0
   -2.5260    0.6671    4.5719 N   0  0  0  0  0
   -3.0780    0.7527    5.8206 N   0  0  0  0  0
   -3.7856   -0.3766    5.8913 C   0  0  0  0  0
   -3.7505   -1.0351    4.6614 C   0  0  0  0  0
   -3.0153   -0.3374    3.7941 N   0  0  0  0  0
    2.3311    0.9037   -0.4172 C   0  0  0  0  0
    2.2754    2.2736   -0.8255 O   0  0  0  0  0
    3.4179    2.9779   -0.4958 C   0  0  0  0  0
    3.3666    4.3496   -0.6879 C   0  0  0  0  0
    4.4939    5.1037   -0.3772 C   0  0  0  0  0
    5.6288    4.4607    0.1044 C   0  0  0  0  0
    5.5878    3.0835    0.2543 C   0  0  0  0  0
    4.5084    2.3264   -0.0383 N   0  0  0  0  0
   -1.5202   -1.9004   -1.0520 H   0  0  0  0  0
   -2.3281   -1.4662    0.4692 H   0  0  0  0  0
   -2.3592    0.7414   -0.1008 H   0  0  0  0  0
   -1.5490    0.4083   -1.6454 H   0  0  0  0  0
   -0.1763    1.8528    0.2029 H   0  0  0  0  0
    0.8183    0.3677   -1.8568 H   0  0  0  0  0
    1.9584   -1.5539    0.0872 H   0  0  0  0  0
    0.8758   -1.9250   -1.2675 H   0  0  0  0  0
   -0.1065   -2.2254    1.2796 H   0  0  0  0  0
    0.9780    4.6387    1.4424 H   0  0  0  0  0
    0.6624    6.9726    2.2064 H   0  0  0  0  0
   -0.8334    7.4564    4.1310 H   0  0  0  0  0
   -2.0042    5.6062    5.2729 H   0  0  0  0  0
   -2.5302    3.1794    5.4166 H   0  0  0  0  0
   -4.2934   -0.6437    6.8077 H   0  0  0  0  0
   -4.2258   -1.9555    4.3535 H   0  0  0  0  0
    3.1426    0.3919   -0.9508 H   0  0  0  0  0
    2.5076    0.8364    0.6646 H   0  0  0  0  0
    2.4658    4.8169   -1.0674 H   0  0  0  0  0
    4.4870    6.1812   -0.5110 H   0  0  0  0  0
    6.5245    5.0176    0.3558 H   0  0  0  0  0
    6.4497    2.5358    0.6250 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  2 36  1  0  0  0
  3  4  1  0  0  0
  3  7  1  0  0  0
  3 37  1  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  4 38  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
  7  8  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 19  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 17  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
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 14 15  2  0  0  0
 14 43  1  0  0  0
 15 16  1  0  0  0
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 17 18  1  0  0  0
 18 19  2  0  0  0
 18 46  1  0  0  0
 19 20  1  0  0  0
 20 21  1  0  0  0
 20 24  1  0  0  0
 21 22  2  0  0  0
 22 23  1  0  0  0
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 23 24  2  0  0  0
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 31 32  2  0  0  0
 31 54  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3659242

>  <PubChem CID>
90412558

>  <Formula>
C24H22N6O2

>  <Molecular Weight>
426.480000

>  <IUPAC Name>
[3-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)quinolin-2-yl]methanone

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CC2C(CC1N2C(=O)C3=NC4=CC=CC=C4C=C3N5N=CC=N5)COC6=CC=CC=N6

>  <Isomeric SMILES>
C1CC2C(CC1N2C(=O)C3=NC4=CC=CC=C4C=C3N5N=CC=N5)COC6=CC=CC=N6

>  <InChI Std. ID>
InChI=1S/C24H22N6O2/c31-24(23-21(30-26-11-12-27-30)14-16-5-1-2-6-19(16)28-23)29-18-8-9-20(29)17(13-18)15-32-22-7-3-4-10-25-22/h1-7,10-12,14,17-18,20H,8-9,13,15H2

>  <InChI Key>
AYJHDWGNHNBJBV-UHFFFAOYSA-N

