
 SCHEMBL3308734

 50 53  0  0  0  0  0  0  0  0999 V2000
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    1.2919    1.8230    1.4359 C   0  0  0  0  0
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    0.8125   -1.9135    1.3193 C   0  0  0  0  0
    0.5911   -2.6201    2.4366 C   0  0  0  0  0
   -0.1580   -3.8768    2.1426 C   0  0  0  0  0
   -0.6914   -3.6220    0.7326 C   0  0  0  0  0
    0.2368   -2.5766    0.1093 C   0  0  0  0  0
    3.7861   -1.5597    0.5634 C   0  0  0  0  0
    4.6544   -1.3541   -0.2795 O   0  0  0  0  0
    3.6859   -2.7438    1.2500 N   0  0  0  0  0
    4.6332   -3.8721    1.1119 C   0  0  0  0  0
    4.7976   -4.3899   -0.3447 C   0  0  0  0  0
    6.2261   -4.8588   -0.3574 C   0  0  0  0  0
    6.9325   -4.3642    0.7447 C   0  0  0  0  0
    6.0578   -3.5169    1.6186 C   0  0  0  0  0
    8.2814   -4.6363    0.9070 C   0  0  0  0  0
    8.9070   -5.4280   -0.0522 C   0  0  0  0  0
    8.2079   -5.9303   -1.1556 C   0  0  0  0  0
    6.8519   -5.6396   -1.3179 C   0  0  0  0  0
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    4.0551   -4.9519    2.0516 C   0  0  0  0  0
    3.5588   -4.7245    3.1504 O   0  0  0  0  0
    4.1142   -6.2202    1.6098 O   0  0  0  0  0
   -1.3175    0.0438    0.9530 H   0  0  0  0  0
   -1.2037    1.4673    1.9869 H   0  0  0  0  0
   -0.9641   -0.1245    2.7007 H   0  0  0  0  0
    0.6997    2.7179    1.6173 H   0  0  0  0  0
    3.0867    2.9520    1.0624 H   0  0  0  0  0
    4.4543    0.9587    0.5957 H   0  0  0  0  0
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    6.3086   -2.4625    1.4636 H   0  0  0  0  0
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    8.7339   -6.5384   -1.8849 H   0  0  0  0  0
    6.3067   -6.0133   -2.1792 H   0  0  0  0  0
    3.7115   -6.7532    2.3267 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  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  4  5  2  0  0  0
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  5  6  1  0  0  0
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  6  7  2  0  0  0
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  9 10  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL3308734

>  <PubChem CID>
25159484

>  <Formula>
C23H22FNO3

>  <Molecular Weight>
379.431000

>  <IUPAC Name>
2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-5-fluoro-1,3-dihydroindene-2-carboxylic acid

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC=CC(=C1C2=CCCC2)C(=O)NC3(CC4=C(C3)C=C(C=C4)F)C(=O)O

>  <Isomeric SMILES>
CC1=CC=CC(=C1C2=CCCC2)C(=O)NC3(CC4=C(C3)C=C(C=C4)F)C(=O)O

>  <InChI Std. ID>
InChI=1S/C23H22FNO3/c1-14-5-4-8-19(20(14)15-6-2-3-7-15)21(26)25-23(22(27)28)12-16-9-10-18(24)11-17(16)13-23/h4-6,8-11H,2-3,7,12-13H2,1H3,(H,25,26)(H,27,28)

>  <InChI Key>
SSCNSRFCMRTGIA-UHFFFAOYSA-N

