
 CHEMBL260672

 43 46  0  0  0  0  0  0  0  0999 V2000
    1.0723   -0.4056    2.1868 C   0  0  0  0  0
    2.4348   -0.0193    1.6894 C   0  0  0  0  0
    3.4260    0.0295    2.4030 O   0  0  0  0  0
    2.3641    0.3218    0.3731 N   0  0  0  0  0
    1.0972    0.2307   -0.1241 C   0  0  0  0  0
    0.7459    0.5729   -1.2452 O   0  0  0  0  0
    0.1988   -0.3357    0.9401 C   0  0  0  0  0
   -1.0900    0.4285    1.1182 C   0  0  0  0  0
   -2.1703   -0.4174    0.8493 C   0  0  0  0  0
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   -2.6103    2.2244    1.5119 C   0  0  0  0  0
   -1.2946    1.7590    1.4554 C   0  0  0  0  0
   -2.9088    3.8680    1.9270 Cl  0  0  0  0  0
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   -0.2980   -1.7310    0.5485 C   0  0  0  0  0
    0.4086   -2.6966    0.3024 O   0  0  0  0  0
   -2.5135   -2.8203    0.1439 C   0  0  0  0  0
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   -3.5592   -3.6865   -1.8789 O   0  0  0  0  0
   -2.2828   -1.8733   -2.0741 O   0  0  0  0  0
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    3.6902   -1.0840   -2.0580 C   0  0  0  0  0
    3.7161   -3.0549   -3.9053 Cl  0  0  0  0  0
    6.2209    0.2966    0.1587 F   0  0  0  0  0
    1.1194   -1.4060    2.6280 H   0  0  0  0  0
    0.7736    0.3128    2.9578 H   0  0  0  0  0
   -4.3208   -0.6091    0.6759 H   0  0  0  0  0
   -4.7096    1.7600    1.2735 H   0  0  0  0  0
   -0.4640    2.4280    1.6577 H   0  0  0  0  0
   -3.4458   -2.8115    0.7164 H   0  0  0  0  0
   -1.9679   -3.7426    0.3707 H   0  0  0  0  0
   -2.5551   -2.0582   -2.9969 H   0  0  0  0  0
    4.1361    1.3954    0.2868 H   0  0  0  0  0
    3.1318    1.5205   -1.1561 H   0  0  0  0  0
    7.4186   -1.5958   -1.1194 H   0  0  0  0  0
    6.3700   -3.0375   -2.8577 H   0  0  0  0  0
    2.6501   -0.9409   -2.3449 H   0  0  0  0  0
  1  7  1  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  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
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 15  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL260672

>  <PubChem CID>
24776306

>  <Formula>
C20H13Cl2FN2O5

>  <Molecular Weight>
451.231000

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

>  <XlogP>
2.4

>  <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=C(C=CC(=C4)Cl)F

>  <Isomeric SMILES>
C1C(=O)N(C(=O)[C@@]12C3=C(C=CC(=C3)Cl)N(C2=O)CC(=O)O)CC4=C(C=CC(=C4)Cl)F

>  <InChI Std. ID>
InChI=1S/C20H13Cl2FN2O5/c21-11-1-3-14(23)10(5-11)8-25-16(26)7-20(19(25)30)13-6-12(22)2-4-15(13)24(18(20)29)9-17(27)28/h1-6H,7-9H2,(H,27,28)/t20-/m1/s1

>  <InChI Key>
IXKFWNVFUXXEFY-HXUWFJFHSA-N

