
 CHEMBL208838

 58 62  0  0  0  0  0  0  0  0999 V2000
    0.1341   -1.5170    0.7324 C   0  0  0  0  0
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    3.3045   -6.5366   -5.6442 N   0  0  0  0  0
    3.1514   -6.0673   -4.3425 O   0  0  0  0  0
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    0.6092   -6.5173  -15.1768 C   0  0  0  0  0
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    1.0736    0.7666   -0.8096 F   0  0  0  0  0
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    0.2869    0.0013    2.2773 H   0  0  0  0  0
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    1.9323   -2.5398    1.3299 H   0  0  0  0  0
    1.0773   -1.1351   -2.1320 H   0  0  0  0  0
    1.4890   -2.3913   -4.1797 H   0  0  0  0  0
    3.0467   -5.6763   -1.8564 H   0  0  0  0  0
    2.6383   -4.4218    0.1966 H   0  0  0  0  0
    1.6966   -3.7034   -8.0583 H   0  0  0  0  0
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  1  5  1  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
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  2 37  1  0  0  0
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  3 33  1  0  0  0
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  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
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 41  1  0  0  0
  8  9  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL208838

>  <PubChem CID>
44413349

>  <Formula>
C25H25F2N3O3

>  <Molecular Weight>
453.490000

>  <IUPAC Name>
2-[(3R,5R)-5-[4-[5-[4-[(1R)-3,3-difluorocyclopentyl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]pyrrolidin-3-yl]acetic acid

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1CC(CC1C2=CC=C(C=C2)C3=NC(=NO3)C4=CC=C(C=C4)C5CC(CN5)CC(=O)O)(F)F

>  <Isomeric SMILES>
C1CC(C[C@@H]1C2=CC=C(C=C2)C3=NC(=NO3)C4=CC=C(C=C4)[C@H]5C[C@@H](CN5)CC(=O)O)(F)F

>  <InChI Std. ID>
InChI=1S/C25H25F2N3O3/c26-25(27)10-9-20(13-25)16-1-7-19(8-2-16)24-29-23(30-33-24)18-5-3-17(4-6-18)21-11-15(14-28-21)12-22(31)32/h1-8,15,20-21,28H,9-14H2,(H,31,32)/t15-,20-,21-/m1/s1

>  <InChI Key>
BLLBAGSMDDITHA-IPHXSNPTSA-N

