
 SCHEMBL6118263

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    4.8144    1.2319    0.3634 C   0  0  0  0  0
    6.8641    2.8109    0.1903 C   0  0  0  0  0
    6.9799    4.1893    0.1082 C   0  0  0  0  0
    5.6912    4.7001    0.1970 N   0  0  0  0  0
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    2.4336    7.3888   -1.6895 C   0  0  0  0  0
    3.2273    7.0061   -0.6557 N   0  0  0  0  0
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    0.6441    8.0699   -0.1855 O   0  0  0  0  0
    0.2535    8.0243   -2.3777 O   0  0  0  0  0
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    8.0204    6.2368    1.6322 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL6118263

>  <PubChem CID>
69671038

>  <Formula>
C22H17ClN2O3

>  <Molecular Weight>
392.839000

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

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C22H17ClN2O3/c1-28-21-11-15-10-19(14-6-3-2-4-7-14)25(20(15)12-17(21)23)13-16-8-5-9-18(24-16)22(26)27/h2-12H,13H2,1H3,(H,26,27)

>  <InChI Key>
XSACHPODNGCEMY-UHFFFAOYSA-N

