
 CHEMBL260674

 43 46  0  0  0  0  0  0  0  0999 V2000
    1.6383    0.1336    1.5043 C   0  0  0  0  0
    2.8044    0.8510    0.8932 C   0  0  0  0  0
    3.6884    1.3787    1.5509 O   0  0  0  0  0
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    1.0963    0.2869   -2.0422 O   0  0  0  0  0
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   -3.1418    3.3656    0.7555 Cl  0  0  0  0  0
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    0.5658   -1.7389    0.2150 C   0  0  0  0  0
    1.4522   -2.5752    0.1363 O   0  0  0  0  0
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    6.1709    1.0117   -0.2048 F   0  0  0  0  0
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    1.1460    0.8109    2.2104 H   0  0  0  0  0
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   -0.4566    2.4352    0.5291 H   0  0  0  0  0
   -0.6774   -3.9920   -0.2602 H   0  0  0  0  0
   -2.3280   -3.3144   -0.2781 H   0  0  0  0  0
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    4.1487    2.3093   -0.8045 H   0  0  0  0  0
    3.0735    2.0022   -2.1614 H   0  0  0  0  0
    3.3686   -0.0420   -3.6052 H   0  0  0  0  0
    5.0246   -1.6133   -4.5478 H   0  0  0  0  0
    7.2140   -1.9511   -3.4263 H   0  0  0  0  0
    7.7384   -0.6924   -1.3391 H   0  0  0  0  0
  1  7  1  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 22  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7  8  1  0  0  0
  7 16  1  0  0  0
  8 13  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL260674

>  <PubChem CID>
24776302

>  <Formula>
C20H14ClFN2O5

>  <Molecular Weight>
416.789000

>  <IUPAC Name>
2-[(3R)-5-chloro-1'-[(2-fluorophenyl)methyl]-2,2',5'-trioxospiro[indole-3,3'-pyrrolidine]-1-yl]acetic acid

>  <XlogP>
1.800

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1C(=O)N(C(=O)C12C3=C(C=CC(=C3)Cl)N(C2=O)CC(=O)O)CC4=CC=CC=C4F

>  <Isomeric SMILES>
C1C(=O)N(C(=O)[C@@]12C3=C(C=CC(=C3)Cl)N(C2=O)CC(=O)O)CC4=CC=CC=C4F

>  <InChI Std. ID>
InChI=1S/C20H14ClFN2O5/c21-12-5-6-15-13(7-12)20(18(28)23(15)10-17(26)27)8-16(25)24(19(20)29)9-11-3-1-2-4-14(11)22/h1-7H,8-10H2,(H,26,27)/t20-/m1/s1

>  <InChI Key>
SKLDVYDFQCXARY-HXUWFJFHSA-N

