
 CHEMBL37358

 48 51  0  0  0  0  0  0  0  0999 V2000
    2.5354   -0.9130   -2.7142 C   0  0  0  0  0
    3.5961   -0.4029   -1.8082 C   0  0  0  0  0
    3.7868    0.8649   -1.5022 N   0  0  0  0  0
    4.8621    0.8902   -0.6466 C   0  0  0  0  0
    5.3443   -0.3962   -0.4220 C   0  0  0  0  0
    4.5175   -1.2045   -1.1679 N   0  0  0  0  0
    4.6069   -2.6527   -1.2530 C   0  0  0  0  0
    3.7604   -3.3364   -0.1821 C   0  0  0  0  0
    3.8078   -4.8535   -0.3066 C   0  0  0  0  0
    5.1416   -5.2994   -0.0724 O   0  0  0  0  0
    5.2436   -6.7174   -0.1447 C   0  0  0  0  0
    6.6800   -7.1295    0.1365 C   0  0  0  0  0
    6.5074   -8.4845    0.7732 C   0  0  0  0  0
    5.2471   -8.2638    1.5978 C   0  0  0  0  0
    4.4244   -7.3674    0.8333 O   0  0  0  0  0
    4.4723   -9.5198    1.9133 C   0  0  0  0  0
    4.3081   -9.9279    3.2482 C   0  0  0  0  0
    3.5783  -11.0786    3.5546 C   0  0  0  0  0
    3.0129  -11.8261    2.5294 C   0  0  0  0  0
    3.1609  -11.4437    1.2019 C   0  0  0  0  0
    3.8855  -10.2910    0.8949 C   0  0  0  0  0
    2.3121  -12.9277    2.8249 F   0  0  0  0  0
    6.4346   -0.6435    0.4118 C   0  0  0  0  0
    6.9934    0.4898    0.9892 C   0  0  0  0  0
    6.5590    1.7578    0.8015 N   0  0  0  0  0
    5.4913    1.9669   -0.0151 C   0  0  0  0  0
    1.9133   -1.6582   -2.2104 H   0  0  0  0  0
    2.9758   -1.3645   -3.6082 H   0  0  0  0  0
    1.8835   -0.0950   -3.0365 H   0  0  0  0  0
    5.6639   -2.9264   -1.1630 H   0  0  0  0  0
    4.2866   -2.9505   -2.2574 H   0  0  0  0  0
    2.7188   -3.0029   -0.2540 H   0  0  0  0  0
    4.1262   -3.0406    0.8091 H   0  0  0  0  0
    3.4809   -5.1667   -1.3047 H   0  0  0  0  0
    3.1321   -5.2876    0.4387 H   0  0  0  0  0
    4.9332   -7.0650   -1.1378 H   0  0  0  0  0
    7.1552   -6.4341    0.8392 H   0  0  0  0  0
    7.2944   -7.1478   -0.7682 H   0  0  0  0  0
    6.3611   -9.2380   -0.0097 H   0  0  0  0  0
    7.3636   -8.7937    1.3803 H   0  0  0  0  0
    5.5036   -7.7343    2.5242 H   0  0  0  0  0
    4.7373   -9.3453    4.0602 H   0  0  0  0  0
    3.4420  -11.3916    4.5853 H   0  0  0  0  0
    2.7049  -12.0389    0.4178 H   0  0  0  0  0
    3.9797   -9.9870   -0.1455 H   0  0  0  0  0
    6.8230   -1.6349    0.6021 H   0  0  0  0  0
    7.8500    0.4000    1.6534 H   0  0  0  0  0
    5.1625    2.9897   -0.1466 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  6  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4 26  1  0  0  0
  5 23  1  0  0  0
  5  6  1  0  0  0
  6  7  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 32  1  0  0  0
  8 33  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
 11 15  1  0  0  0
 11 12  1  0  0  0
 11 36  1  0  0  0
 12 13  1  0  0  0
 12 37  1  0  0  0
 12 38  1  0  0  0
 13 14  1  0  0  0
 13 39  1  0  0  0
 13 40  1  0  0  0
 14 15  1  0  0  0
 14 16  1  0  0  0
 14 41  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
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 18 19  2  0  0  0
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 19 20  1  0  0  0
 19 22  1  0  0  0
 20 21  2  0  0  0
 20 44  1  0  0  0
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 23 24  2  0  0  0
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 24 47  1  0  0  0
 25 26  2  0  0  0
 26 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL37358

>  <PubChem CID>
44284551

>  <Formula>
C20H22FN3O2

>  <Molecular Weight>
355.413000

>  <IUPAC Name>
1-[3-[5-(4-fluorophenyl)oxolan-2-yl]oxypropyl]-2-methylimidazo[4,5-c]pyridine

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=NC2=C(N1CCCOC3CCC(O3)C4=CC=C(C=C4)F)C=CN=C2

>  <Isomeric SMILES>
CC1=NC2=C(N1CCCOC3CCC(O3)C4=CC=C(C=C4)F)C=CN=C2

>  <InChI Std. ID>
InChI=1S/C20H22FN3O2/c1-14-23-17-13-22-10-9-18(17)24(14)11-2-12-25-20-8-7-19(26-20)15-3-5-16(21)6-4-15/h3-6,9-10,13,19-20H,2,7-8,11-12H2,1H3

>  <InChI Key>
DPLGULRGBPMLCH-UHFFFAOYSA-N

