
 CHEMBL1641817

 61 65  0  0  0  0  0  0  0  0999 V2000
    0.7395   -0.7566    0.1756 C   0  0  0  0  0
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    2.1583    2.3482    2.1029 C   0  0  0  0  0
    0.1760    4.1019    4.5855 F   0  0  0  0  0
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    4.5527   -3.9000   -0.9196 H   0  0  0  0  0
    2.3502   -1.9192    2.1425 H   0  0  0  0  0
    4.0679   -2.2343    1.9194 H   0  0  0  0  0
    1.3211   -4.5511    5.5927 H   0  0  0  0  0
    1.2044   -6.9908    5.1616 H   0  0  0  0  0
    1.8959   -7.8666    2.9252 H   0  0  0  0  0
    3.6844   -7.8640    0.4895 H   0  0  0  0  0
    3.3480   -7.0006   -0.9990 H   0  0  0  0  0
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    2.3525    2.7317    4.2230 H   0  0  0  0  0
    3.1105    1.8200    2.0694 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2 20  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 11  1  0  0  0
  3 37  1  0  0  0
  4  5  1  0  0  0
  4 38  1  0  0  0
  4 39  1  0  0  0
  5  6  1  0  0  0
  5 40  1  0  0  0
  5 41  1  0  0  0
  6  7  2  0  0  0
  6 10  1  0  0  0
  7  8  1  0  0  0
  7 16  1  0  0  0
  8  9  2  0  0  0
  8 15  1  0  0  0
  9 12  1  0  0  0
  9 10  1  0  0  0
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 28 58  1  0  0  0
 29 30  2  0  0  0
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 31 60  1  0  0  0
 32 61  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1641817

>  <PubChem CID>
45110109

>  <Formula>
C26H28FN3O3

>  <Molecular Weight>
449.526000

>  <IUPAC Name>
2-[(8R)-8-[[1-(4-fluorophenyl)cyclopentanecarbonyl]-methylamino]-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-5-yl]acetic acid

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN(C1CCC2=C(C3=C(N2C1)N=CC=C3)CC(=O)O)C(=O)C4(CCCC4)C5=CC=C(C=C5)F

>  <Isomeric SMILES>
CN([C@@H]1CCC2=C(C3=C(N2C1)N=CC=C3)CC(=O)O)C(=O)C4(CCCC4)C5=CC=C(C=C5)F

>  <InChI Std. ID>
InChI=1S/C26H28FN3O3/c1-29(25(33)26(12-2-3-13-26)17-6-8-18(27)9-7-17)19-10-11-22-21(15-23(31)32)20-5-4-14-28-24(20)30(22)16-19/h4-9,14,19H,2-3,10-13,15-16H2,1H3,(H,31,32)/t19-/m1/s1

>  <InChI Key>
BLYMEBNUHVMONG-LJQANCHMSA-N

