
 SCHEMBL6118739

 45 48  0  0  0  0  0  0  0  0999 V2000
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    5.9966    0.9529   -0.4476 C   0  0  0  0  0
    6.2865    2.3324   -0.3740 C   0  0  0  0  0
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    4.1306    2.7336    0.6907 C   0  0  0  0  0
    3.8622    1.3629    0.6023 C   0  0  0  0  0
    5.8883    4.4883    0.1051 N   0  0  0  0  0
    7.1647    4.4416   -0.4476 C   0  0  0  0  0
    7.4053    3.1102   -0.7536 C   0  0  0  0  0
    8.1008    5.5615   -0.6227 C   0  0  0  0  0
    9.4500    5.4136   -0.2929 C   0  0  0  0  0
   10.3975    6.3736   -0.4407 N   0  0  0  0  0
    9.9840    7.5523   -0.9461 C   0  0  0  0  0
    8.6758    7.8061   -1.3196 C   0  0  0  0  0
    7.7322    6.7884   -1.1729 C   0  0  0  0  0
    5.2174    5.6674    0.6622 C   0  0  0  0  0
    4.3575    6.4212   -0.3362 C   0  0  0  0  0
    3.5477    5.7741   -1.2827 C   0  0  0  0  0
    2.7566    6.5046   -2.1738 C   0  0  0  0  0
    2.7566    7.8991   -2.1334 C   0  0  0  0  0
    3.5421    8.5648   -1.1903 C   0  0  0  0  0
    4.3237    7.8244   -0.2872 C   0  0  0  0  0
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    8.3134    2.7290   -1.2041 H   0  0  0  0  0
    9.8284    4.4788    0.1139 H   0  0  0  0  0
   10.7563    8.3081   -1.0560 H   0  0  0  0  0
    8.3961    8.7700   -1.7307 H   0  0  0  0  0
    6.7226    6.9640   -1.5237 H   0  0  0  0  0
    5.9987    6.3127    1.0798 H   0  0  0  0  0
    4.5979    5.3460    1.5063 H   0  0  0  0  0
    3.5219    4.6881   -1.3541 H   0  0  0  0  0
    2.1447    5.9782   -2.9037 H   0  0  0  0  0
    2.1441    8.4517   -2.8413 H   0  0  0  0  0
    4.9280    8.3587    0.4477 H   0  0  0  0  0
    2.9369   11.6018   -1.8600 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL6118739

>  <PubChem CID>
69671242

>  <Formula>
C22H18N2O3

>  <Molecular Weight>
358.397000

>  <IUPAC Name>
3-[(5-methoxy-2-pyridin-3-ylindol-1-yl)methyl]benzoic acid

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=CC2=C(C=C1)N(C(=C2)C3=CN=CC=C3)CC4=CC=CC(=C4)C(=O)O

>  <Isomeric SMILES>
COC1=CC2=C(C=C1)N(C(=C2)C3=CN=CC=C3)CC4=CC=CC(=C4)C(=O)O

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

>  <InChI Key>
PMJOTJQSINNTQG-UHFFFAOYSA-N

