
 SCHEMBL6117461

 45 48  0  0  0  0  0  0  0  0999 V2000
    3.7583   -0.9913    1.2638 C   0  0  0  0  0
    3.0599    0.0100    0.5330 O   0  0  0  0  0
    3.7070    1.2105    0.3796 C   0  0  0  0  0
    2.9155    2.3470    0.1848 C   0  0  0  0  0
    3.4847    3.6190    0.0298 C   0  0  0  0  0
    4.8867    3.7321    0.0517 C   0  0  0  0  0
    5.6938    2.6073    0.1915 C   0  0  0  0  0
    5.1021    1.3371    0.3632 C   0  0  0  0  0
    7.0335    3.0490    0.1047 C   0  0  0  0  0
    7.0615    4.4279   -0.0623 C   0  0  0  0  0
    5.7296    4.8391   -0.0315 N   0  0  0  0  0
    5.2246    6.2128   -0.0390 C   0  0  0  0  0
    5.7241    7.0444    1.1136 C   0  0  0  0  0
    5.5890    6.6206    2.4358 C   0  0  0  0  0
    6.0637    7.4360    3.4601 C   0  0  0  0  0
    6.6529    8.6558    3.1432 C   0  0  0  0  0
    6.7343    9.0190    1.8056 C   0  0  0  0  0
    6.2664    8.2436    0.7930 N   0  0  0  0  0
    7.3676   10.3204    1.4443 C   0  0  0  0  0
    7.8649   11.1077    2.2338 O   0  0  0  0  0
    7.3479   10.5770    0.1242 O   0  0  0  0  0
    8.2706    5.2716   -0.1753 C   0  0  0  0  0
    8.3438    6.3996   -0.9984 C   0  0  0  0  0
    9.5198    7.1464   -1.0722 C   0  0  0  0  0
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    9.5584    8.2376   -1.8490 F   0  0  0  0  0
    1.1869    2.2405    0.1515 Cl  0  0  0  0  0
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    2.8421    4.4819   -0.1091 H   0  0  0  0  0
    5.7533    0.4763    0.4611 H   0  0  0  0  0
    7.9071    2.4105    0.1484 H   0  0  0  0  0
    4.1326    6.2003    0.0108 H   0  0  0  0  0
    5.4799    6.6491   -1.0083 H   0  0  0  0  0
    5.1318    5.6637    2.6728 H   0  0  0  0  0
    5.9774    7.1218    4.4960 H   0  0  0  0  0
    7.0380    9.3061    3.9208 H   0  0  0  0  0
    7.8119   11.4311    0.0232 H   0  0  0  0  0
    7.5104    6.7286   -1.6056 H   0  0  0  0  0
   11.5637    7.3659   -0.4590 H   0  0  0  0  0
   11.5066    5.3203    0.9691 H   0  0  0  0  0
    9.4332    4.0205    1.1673 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL6117461

>  <PubChem CID>
69670851

>  <Formula>
C22H16ClFN2O3

>  <Molecular Weight>
410.829000

>  <IUPAC Name>
6-[[6-chloro-2-(3-fluorophenyl)-5-methoxyindol-1-yl]methyl]pyridine-2-carboxylic acid

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=C(C=C2C(=C1)C=C(N2CC3=CC=CC(=N3)C(=O)O)C4=CC(=CC=C4)F)Cl

>  <Isomeric SMILES>
COC1=C(C=C2C(=C1)C=C(N2CC3=CC=CC(=N3)C(=O)O)C4=CC(=CC=C4)F)Cl

>  <InChI Std. ID>
InChI=1S/C22H16ClFN2O3/c1-29-21-10-14-9-19(13-4-2-5-15(24)8-13)26(20(14)11-17(21)23)12-16-6-3-7-18(25-16)22(27)28/h2-11H,12H2,1H3,(H,27,28)

>  <InChI Key>
LWMJSEXGBQWYNA-UHFFFAOYSA-N

