
 SCHEMBL6117632

 45 48  0  0  0  0  0  0  0  0999 V2000
    2.6879    0.1092    0.1736 C   0  0  0  0  0
    4.0991    0.2535    0.2841 O   0  0  0  0  0
    4.5607    1.5432    0.2727 C   0  0  0  0  0
    5.8600    1.6997   -0.2204 C   0  0  0  0  0
    6.4376    2.9826   -0.2804 C   0  0  0  0  0
    5.7192    4.0758    0.1953 C   0  0  0  0  0
    4.4188    3.9320    0.7075 C   0  0  0  0  0
    3.8534    2.6497    0.7361 C   0  0  0  0  0
    6.5410    5.1919    0.0785 N   0  0  0  0  0
    7.7334    4.8462   -0.5528 C   0  0  0  0  0
    7.6805    3.4732   -0.7455 C   0  0  0  0  0
    8.8421    5.7528   -0.8984 C   0  0  0  0  0
   10.1816    5.3540   -0.7338 C   0  0  0  0  0
   11.2459    6.1870   -1.0862 C   0  0  0  0  0
   10.9875    7.4511   -1.6067 C   0  0  0  0  0
    9.6692    7.8520   -1.7866 C   0  0  0  0  0
    8.6044    7.0145   -1.4576 C   0  0  0  0  0
    9.4165    9.0663   -2.2920 F   0  0  0  0  0
   10.4800    4.1479   -0.2258 F   0  0  0  0  0
    6.2683    6.4488    0.7796 C   0  0  0  0  0
    5.4088    7.4462    0.0272 C   0  0  0  0  0
    5.2257    8.7105    0.5951 C   0  0  0  0  0
    4.4637    9.6631   -0.0765 C   0  0  0  0  0
    3.8925    9.3362   -1.2986 C   0  0  0  0  0
    4.0953    8.0563   -1.7974 C   0  0  0  0  0
    4.8416    7.1118   -1.1575 N   0  0  0  0  0
    3.4566    7.7021   -3.1003 C   0  0  0  0  0
    2.9378    8.4916   -3.8743 O   0  0  0  0  0
    3.4544    6.3797   -3.3499 O   0  0  0  0  0
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    2.2943    0.6790   -0.6757 H   0  0  0  0  0
    2.1878    0.3932    1.1047 H   0  0  0  0  0
    6.4148    0.8342   -0.5710 H   0  0  0  0  0
    3.8519    4.7858    1.0640 H   0  0  0  0  0
    2.8539    2.5471    1.1460 H   0  0  0  0  0
    8.4677    2.8749   -1.1874 H   0  0  0  0  0
   12.2652    5.8376   -0.9516 H   0  0  0  0  0
   11.7984    8.1169   -1.8834 H   0  0  0  0  0
    7.5984    7.3566   -1.6742 H   0  0  0  0  0
    7.2321    6.9024    1.0353 H   0  0  0  0  0
    5.7795    6.1928    1.7273 H   0  0  0  0  0
    5.6773    8.9611    1.5511 H   0  0  0  0  0
    4.3169   10.6521    0.3498 H   0  0  0  0  0
    3.2949   10.0598   -1.8453 H   0  0  0  0  0
    2.9985    6.2835   -4.2091 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  3  8  1  0  0  0
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  4  5  1  0  0  0
  4 33  1  0  0  0
  5  6  2  0  0  0
  5 11  1  0  0  0
  6  7  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL6117632

>  <PubChem CID>
50908089

>  <Formula>
C22H16F2N2O3

>  <Molecular Weight>
394.378000

>  <IUPAC Name>
6-[[2-(2,5-difluorophenyl)-5-methoxyindol-1-yl]methyl]pyridine-2-carboxylic acid

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COC1=CC2=C(C=C1)N(C(=C2)C3=C(C=CC(=C3)F)F)CC4=CC=CC(=N4)C(=O)O

>  <Isomeric SMILES>
COC1=CC2=C(C=C1)N(C(=C2)C3=C(C=CC(=C3)F)F)CC4=CC=CC(=N4)C(=O)O

>  <InChI Std. ID>
InChI=1S/C22H16F2N2O3/c1-29-16-6-8-20-13(9-16)10-21(17-11-14(23)5-7-18(17)24)26(20)12-15-3-2-4-19(25-15)22(27)28/h2-11H,12H2,1H3,(H,27,28)

>  <InChI Key>
JZSRAEAMSHQMLU-UHFFFAOYSA-N

