
 SCHEMBL17418997

 65 68  0  0  0  0  0  0  0  0999 V2000
    1.8446    0.6647    3.0480 C   0  0  0  0  0
    3.2568    0.7033    2.4576 C   0  0  0  0  0
    4.1557   -0.2876    3.2010 C   0  0  0  0  0
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    4.9621    1.9278    0.2908 N   0  0  0  0  0
    6.1358    2.2022   -0.3336 C   0  0  0  0  0
    6.8380    1.2121   -0.9966 C   0  0  0  0  0
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    5.2272   -0.3541   -0.4483 C   0  0  0  0  0
    4.8638   -1.7696   -0.5588 C   0  0  0  0  0
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    4.2992   -4.5225   -0.8839 N   0  0  0  0  0
    3.4333   -3.5595   -1.2761 C   0  0  0  0  0
    3.6751   -2.2007   -1.1455 C   0  0  0  0  0
    2.7645   -1.3234   -1.5915 F   0  0  0  0  0
    6.4031   -5.0092    0.0753 O   0  0  0  0  0
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    5.0045    5.6517   -1.5371 C   0  0  0  0  0
    2.9437    7.1694   -1.5029 C   0  0  0  0  0
    2.7360    6.8614   -0.0121 C   0  0  0  0  0
    1.5071    7.5334    0.5258 C   0  0  0  0  0
    1.4760    8.5293    1.2270 O   0  0  0  0  0
    0.3709    6.9057    0.1728 O   0  0  0  0  0
    3.5440    8.5466   -1.7058 C   0  0  0  0  0
    3.2752    9.3165   -2.9767 C   0  0  0  0  0
    2.6785    9.7825   -1.6802 C   0  0  0  0  0
    1.1971    1.3984    2.5559 H   0  0  0  0  0
    1.8624    0.9013    4.1173 H   0  0  0  0  0
    1.3890   -0.3242    2.9273 H   0  0  0  0  0
    3.6554    1.7134    2.6153 H   0  0  0  0  0
    3.8124   -1.3183    3.0596 H   0  0  0  0  0
    4.1573   -0.0776    4.2760 H   0  0  0  0  0
    5.1911   -0.2235    2.8522 H   0  0  0  0  0
    2.4490    1.0388    0.4708 H   0  0  0  0  0
    2.8436   -0.6295    0.8153 H   0  0  0  0  0
    7.7761    1.4187   -1.5008 H   0  0  0  0  0
    6.7265   -2.4878    0.2932 H   0  0  0  0  0
    2.5096   -3.9131   -1.7223 H   0  0  0  0  0
    7.0732   -6.9155   -0.2191 H   0  0  0  0  0
    6.2825   -6.2024   -1.6305 H   0  0  0  0  0
    5.3113   -6.7674   -0.2162 H   0  0  0  0  0
    7.6588    3.5609    0.2435 H   0  0  0  0  0
    6.0525    4.2374    0.3699 H   0  0  0  0  0
    6.1436    3.5302   -3.9388 H   0  0  0  0  0
    4.1529    4.4272   -5.1112 H   0  0  0  0  0
    2.6877    6.0703   -3.9984 H   0  0  0  0  0
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    4.5369    8.6362   -1.2740 H   0  0  0  0  0
    2.6056    8.8924   -3.7164 H   0  0  0  0  0
    4.0905    9.8922   -3.4004 H   0  0  0  0  0
    3.0898   10.6749   -1.2201 H   0  0  0  0  0
    1.6074    9.6788   -1.5512 H   0  0  0  0  0
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  2  4  1  0  0  0
  2  3  1  0  0  0
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  3 42  1  0  0  0
  4  5  1  0  0  0
  4 43  1  0  0  0
  4 44  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 20  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL17418997

>  <PubChem CID>
118645756

>  <Formula>
C27H30FN3O4

>  <Molecular Weight>
479.552000

>  <IUPAC Name>
(3S)-3-cyclopropyl-3-[3-[[5-(5-fluoro-2-methoxypyridin-4-yl)-6-(2-methylpropyl)pyrazin-2-yl]methoxy]phenyl]propanoic acid

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC(C)CC1=NC(=CN=C1C2=CC(=NC=C2F)OC)COC3=CC=CC(=C3)C(CC(=O)O)C4CC4

>  <Isomeric SMILES>
CC(C)CC1=NC(=CN=C1C2=CC(=NC=C2F)OC)COC3=CC=CC(=C3)[C@@H](CC(=O)O)C4CC4

>  <InChI Std. ID>
InChI=1S/C27H30FN3O4/c1-16(2)9-24-27(22-11-25(34-3)29-14-23(22)28)30-13-19(31-24)15-35-20-6-4-5-18(10-20)21(12-26(32)33)17-7-8-17/h4-6,10-11,13-14,16-17,21H,7-9,12,15H2,1-3H3,(H,32,33)/t21-/m0/s1

>  <InChI Key>
FNXMDDKBLZLDDD-NRFANRHFSA-N

