
 SCHEMBL6118235

 44 47  0  0  0  0  0  0  0  0999 V2000
    3.2699   -1.2563    0.7390 C   0  0  0  0  0
    2.5887   -0.0687    0.3554 O   0  0  0  0  0
    3.3192    1.0924    0.3327 C   0  0  0  0  0
    2.6034    2.2916    0.2453 C   0  0  0  0  0
    3.2509    3.5351    0.2194 C   0  0  0  0  0
    4.6529    3.5630    0.2997 C   0  0  0  0  0
    5.3892    2.3804    0.3406 C   0  0  0  0  0
    4.7190    1.1372    0.3586 C   0  0  0  0  0
    6.7555    2.7424    0.3130 C   0  0  0  0  0
    6.8559    4.1230    0.2617 C   0  0  0  0  0
    5.5601    4.6196    0.3509 N   0  0  0  0  0
    5.1651    6.0310    0.3756 C   0  0  0  0  0
    4.8262    6.5083    1.7737 C   0  0  0  0  0
    3.5326    6.4151    2.2846 C   0  0  0  0  0
    3.2760    6.8378    3.5887 C   0  0  0  0  0
    4.3120    7.3519    4.3584 C   0  0  0  0  0
    5.5721    7.4356    3.7840 C   0  0  0  0  0
    5.8330    7.0370    2.5093 N   0  0  0  0  0
    6.7485    7.9663    4.5427 C   0  0  0  0  0
    7.8663    8.1701    4.1068 O   0  0  0  0  0
    6.4717    8.2013    5.8437 O   0  0  0  0  0
    8.0885    4.8963    0.0888 C   0  0  0  0  0
    8.9307    4.6472   -0.9961 C   0  0  0  0  0
   10.1091    5.2793   -1.2241 N   0  0  0  0  0
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    9.7226    6.5258    0.8010 C   0  0  0  0  0
    8.5220    5.8474    1.0087 C   0  0  0  0  0
    0.8717    2.3014    0.1797 Cl  0  0  0  0  0
    2.5220   -2.0455    0.8615 H   0  0  0  0  0
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    3.9666   -1.5763   -0.0423 H   0  0  0  0  0
    2.6671    4.4429    0.1304 H   0  0  0  0  0
    5.3208    0.2360    0.3760 H   0  0  0  0  0
    7.5951    2.0583    0.2909 H   0  0  0  0  0
    4.3103    6.1556   -0.2987 H   0  0  0  0  0
    5.9783    6.6307   -0.0446 H   0  0  0  0  0
    2.7157    6.0214    1.6913 H   0  0  0  0  0
    2.2737    6.7590    4.0023 H   0  0  0  0  0
    4.1303    7.6765    5.3773 H   0  0  0  0  0
    7.3317    8.5063    6.2043 H   0  0  0  0  0
    8.6753    3.8975   -1.7409 H   0  0  0  0  0
   11.4218    6.7029   -0.5133 H   0  0  0  0  0
   10.0613    7.2758    1.5079 H   0  0  0  0  0
    7.9532    6.0597    1.9067 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  5  6  2  0  0  0
  5 32  1  0  0  0
  6 11  1  0  0  0
  6  7  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL6118235

>  <PubChem CID>
50907869

>  <Formula>
C21H16ClN3O3

>  <Molecular Weight>
393.827000

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

>  <XlogP>
3.6

>  <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=CN=CC=C4)Cl

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

>  <InChI Std. ID>
InChI=1S/C21H16ClN3O3/c1-28-20-9-14-8-18(13-4-3-7-23-11-13)25(19(14)10-16(20)22)12-15-5-2-6-17(24-15)21(26)27/h2-11H,12H2,1H3,(H,26,27)

>  <InChI Key>
MZBDRQVEULUYPF-UHFFFAOYSA-N

