
 SCHEMBL6117314

 44 47  0  0  0  0  0  0  0  0999 V2000
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    2.6892   -0.0036    0.2141 O   0  0  0  0  0
    3.4566    1.1313    0.2177 C   0  0  0  0  0
    2.7625    2.3360    0.1270 C   0  0  0  0  0
    3.4108    3.5732    0.1247 C   0  0  0  0  0
    4.8115    3.5868    0.2259 C   0  0  0  0  0
    5.5349    2.3963    0.2724 C   0  0  0  0  0
    4.8542    1.1569    0.2726 C   0  0  0  0  0
    6.9045    2.7461    0.2647 C   0  0  0  0  0
    7.0214    4.1263    0.2058 C   0  0  0  0  0
    5.7286    4.6351    0.2939 N   0  0  0  0  0
    5.3383    6.0485    0.3261 C   0  0  0  0  0
    5.0087    6.5218    1.7273 C   0  0  0  0  0
    3.7253    6.4079    2.2593 C   0  0  0  0  0
    3.4816    6.8301    3.5656 C   0  0  0  0  0
    4.5216    7.3584    4.3214 C   0  0  0  0  0
    5.7712    7.4587    3.7276 C   0  0  0  0  0
    6.0177    7.0680    2.4482 N   0  0  0  0  0
    6.9539    7.9978    4.4697 C   0  0  0  0  0
    8.0502    8.2590    4.0065 O   0  0  0  0  0
    6.7172    8.1575    5.7897 O   0  0  0  0  0
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    7.7361    2.0521    0.2492 H   0  0  0  0  0
    4.4791    6.1785   -0.3417 H   0  0  0  0  0
    6.1500    6.6452   -0.0993 H   0  0  0  0  0
    2.9068    5.9969    1.6793 H   0  0  0  0  0
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    7.5813    8.4619    6.1384 H   0  0  0  0  0
    8.9110    3.7245   -1.7003 H   0  0  0  0  0
   11.6421    6.6031   -0.6224 H   0  0  0  0  0
   10.2183    7.3581    1.2910 H   0  0  0  0  0
    8.0926    6.1959    1.7248 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL6117314

>  <PubChem CID>
69670812

>  <Formula>
C21H16FN3O3

>  <Molecular Weight>
377.375000

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

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

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

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

>  <InChI Std. ID>
InChI=1S/C21H16FN3O3/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>
RZPLBSGRSHMBGQ-UHFFFAOYSA-N

