
 SCHEMBL3308957

 46 49  0  0  0  0  0  0  0  0999 V2000
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   -0.6816    2.3319   -3.1278 C   0  0  0  0  0
   -0.2888    0.9698   -2.5572 C   0  0  0  0  0
    1.1866    0.6433   -2.6744 C   0  0  0  0  0
    1.7563   -0.4378   -1.9629 C   0  0  0  0  0
    3.1222   -0.7358   -2.1161 C   0  0  0  0  0
    3.9303    0.0336   -2.9482 C   0  0  0  0  0
    3.3770    1.0940   -3.6553 C   0  0  0  0  0
    2.0094    1.3948   -3.5470 C   0  0  0  0  0
    1.4756    2.5597   -4.3484 C   0  0  0  0  0
    0.9403   -1.3273   -1.0721 C   0  0  0  0  0
   -0.2261   -1.5970   -1.3206 O   0  0  0  0  0
    1.6085   -1.8136    0.0386 N   0  0  0  0  0
    0.9362   -2.6107    1.0898 C   0  0  0  0  0
    0.0030   -3.7269    0.5419 C   0  0  0  0  0
    0.2269   -4.8565    1.5046 C   0  0  0  0  0
    1.3751   -4.6476    2.2719 C   0  0  0  0  0
    2.0273   -3.3460    1.9252 C   0  0  0  0  0
    1.7976   -5.5906    3.1936 C   0  0  0  0  0
    1.0276   -6.7408    3.3479 C   0  0  0  0  0
   -0.1318   -6.9522    2.5942 C   0  0  0  0  0
   -0.5374   -6.0039    1.6532 C   0  0  0  0  0
    1.4074   -7.6685    4.2376 F   0  0  0  0  0
    0.1456   -1.6873    2.0451 C   0  0  0  0  0
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    0.4239   -0.3726    1.8977 O   0  0  0  0  0
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    1.7883    3.4867   -3.8515 H   0  0  0  0  0
    1.9205    2.5562   -5.3514 H   0  0  0  0  0
    2.3746   -1.2345    0.3582 H   0  0  0  0  0
    0.3033   -4.0586   -0.4585 H   0  0  0  0  0
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    2.9241   -3.5472    1.3280 H   0  0  0  0  0
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    2.6932   -5.4533    3.7876 H   0  0  0  0  0
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   -1.4329   -6.1624    1.0591 H   0  0  0  0  0
   -0.1767    0.0579    2.5412 H   0  0  0  0  0
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  6  7  2  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL3308957

>  <PubChem CID>
25159363

>  <Formula>
C21H20FNO3

>  <Molecular Weight>
353.393000

>  <IUPAC Name>
5-fluoro-2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCC2=C(C=CC=C2C1)C(=O)NC3(CC4=C(C3)C=C(C=C4)F)C(=O)O

>  <Isomeric SMILES>
C1CCC2=C(C=CC=C2C1)C(=O)NC3(CC4=C(C3)C=C(C=C4)F)C(=O)O

>  <InChI Std. ID>
InChI=1S/C21H20FNO3/c22-16-9-8-14-11-21(20(25)26,12-15(14)10-16)23-19(24)18-7-3-5-13-4-1-2-6-17(13)18/h3,5,7-10H,1-2,4,6,11-12H2,(H,23,24)(H,25,26)

>  <InChI Key>
JGVKSNVSVQTRCR-UHFFFAOYSA-N

