
 SCHEMBL6118195

 45 48  0  0  0  0  0  0  0  0999 V2000
    1.3694   -0.1768    0.2921 C   0  0  0  0  0
    2.7823   -0.0788    0.4228 O   0  0  0  0  0
    3.3201    1.1803    0.3858 C   0  0  0  0  0
    4.7191    1.2164    0.4517 C   0  0  0  0  0
    5.3972    2.4508    0.4095 C   0  0  0  0  0
    4.6593    3.6240    0.3032 C   0  0  0  0  0
    3.2554    3.6073    0.2478 C   0  0  0  0  0
    2.6019    2.3694    0.2917 C   0  0  0  0  0
    5.5622    4.6818    0.2751 N   0  0  0  0  0
    6.8681    4.2061    0.3325 C   0  0  0  0  0
    6.7625    2.8249    0.4395 C   0  0  0  0  0
    8.1133    4.9931    0.2325 C   0  0  0  0  0
    8.3053    6.2094    0.8953 C   0  0  0  0  0
    9.4991    6.9279    0.7538 C   0  0  0  0  0
   10.5358    6.4179   -0.0227 C   0  0  0  0  0
   10.3802    5.1902   -0.6573 C   0  0  0  0  0
    9.1773    4.4873   -0.5344 C   0  0  0  0  0
    5.1271    6.0709    0.1492 C   0  0  0  0  0
    4.4769    6.6062    1.4084 C   0  0  0  0  0
    4.8748    6.2124    2.6893 C   0  0  0  0  0
    4.2409    6.7553    3.8041 C   0  0  0  0  0
    3.2304    7.6908    3.6252 C   0  0  0  0  0
    2.8886    8.0442    2.3267 C   0  0  0  0  0
    3.4949    7.5257    1.2238 N   0  0  0  0  0
    1.7974    9.0420    2.1245 C   0  0  0  0  0
    1.2394    9.6748    3.0068 O   0  0  0  0  0
    1.4382    9.1867    0.8342 O   0  0  0  0  0
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    0.8634    0.2930    1.1420 H   0  0  0  0  0
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    1.5174    2.3771    0.2482 H   0  0  0  0  0
    7.5992    2.1410    0.5100 H   0  0  0  0  0
    7.5407    6.6270    1.5415 H   0  0  0  0  0
    9.6198    7.8838    1.2572 H   0  0  0  0  0
   11.4650    6.9717   -0.1260 H   0  0  0  0  0
   11.1909    4.7760   -1.2510 H   0  0  0  0  0
    9.0792    3.5357   -1.0509 H   0  0  0  0  0
    4.4121    6.0997   -0.6827 H   0  0  0  0  0
    5.9665    6.7025   -0.1454 H   0  0  0  0  0
    5.6582    5.4727    2.8357 H   0  0  0  0  0
    4.5304    6.4435    4.8045 H   0  0  0  0  0
    2.7185    8.1263    4.4771 H   0  0  0  0  0
    0.7189    9.8483    0.8494 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
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  2  3  1  0  0  0
  3  8  1  0  0  0
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  4 31  1  0  0  0
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  5 11  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL6118195

>  <PubChem CID>
50907648

>  <Formula>
C22H18N2O3

>  <Molecular Weight>
358.397000

>  <IUPAC Name>
6-[(5-methoxy-2-phenylindol-1-yl)methyl]pyridine-2-carboxylic acid

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C22H18N2O3/c1-27-18-10-11-20-16(12-18)13-21(15-6-3-2-4-7-15)24(20)14-17-8-5-9-19(23-17)22(25)26/h2-13H,14H2,1H3,(H,25,26)

>  <InChI Key>
MNXIPDOVKILDRF-UHFFFAOYSA-N

