
 CHEMBL260013

 44 47  0  0  0  0  0  0  0  0999 V2000
    1.8613   -0.0608    1.4352 C   0  0  0  0  0
    2.8260    0.9412    0.8567 C   0  0  0  0  0
    3.5936    1.6300    1.5084 O   0  0  0  0  0
    2.7019    0.9328   -0.5179 N   0  0  0  0  0
    1.7523   -0.0490   -0.9877 C   0  0  0  0  0
    0.9458   -0.4024    0.2568 C   0  0  0  0  0
   -0.4035    0.2711    0.3305 C   0  0  0  0  0
   -1.4031   -0.7042    0.3961 C   0  0  0  0  0
   -2.7427   -0.3666    0.4599 C   0  0  0  0  0
   -3.0748    0.9927    0.4655 C   0  0  0  0  0
   -2.0716    1.9738    0.4068 C   0  0  0  0  0
   -0.7229    1.6213    0.3380 C   0  0  0  0  0
   -2.5114    3.6376    0.4171 Cl  0  0  0  0  0
   -0.8145   -1.9725    0.3839 N   0  0  0  0  0
    0.5732   -1.8918    0.2578 C   0  0  0  0  0
    1.3504   -2.8302    0.1767 O   0  0  0  0  0
   -1.5352   -3.2295    0.3993 C   0  0  0  0  0
   -1.9694   -3.7270   -0.9700 C   0  0  0  0  0
   -2.6274   -4.7394   -1.1711 O   0  0  0  0  0
   -1.5731   -2.9700   -2.0120 O   0  0  0  0  0
    3.5456    1.6991   -1.4171 C   0  0  0  0  0
    2.8523    2.9306   -1.9331 C   0  0  0  0  0
    2.6193    3.0985   -3.3005 C   0  0  0  0  0
    2.0007    4.2445   -3.7960 C   0  0  0  0  0
    1.5980    5.2489   -2.9159 C   0  0  0  0  0
    1.8228    5.0972   -1.5483 C   0  0  0  0  0
    2.4511    3.9520   -1.0558 C   0  0  0  0  0
    1.3233    6.3314   -0.4597 Cl  0  0  0  0  0
    2.9958    2.1466   -4.1656 F   0  0  0  0  0
    2.4385   -0.9227    1.7863 H   0  0  0  0  0
    1.3273    0.3867    2.2794 H   0  0  0  0  0
    1.1459    0.3797   -1.7925 H   0  0  0  0  0
    2.3220   -0.8964   -1.3849 H   0  0  0  0  0
   -3.5270   -1.1136    0.5036 H   0  0  0  0  0
   -4.1204    1.2887    0.5167 H   0  0  0  0  0
    0.0470    2.3853    0.2931 H   0  0  0  0  0
   -2.4180   -3.1325    1.0383 H   0  0  0  0  0
   -0.8768   -3.9956    0.8235 H   0  0  0  0  0
   -1.9053   -3.4523   -2.7984 H   0  0  0  0  0
    3.8613    1.0355   -2.2298 H   0  0  0  0  0
    4.4542    2.0094   -0.8874 H   0  0  0  0  0
    1.8393    4.3484   -4.8647 H   0  0  0  0  0
    1.1156    6.1442   -3.2995 H   0  0  0  0  0
    2.6366    3.8537    0.0128 H   0  0  0  0  0
  1  6  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 21  1  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  5 33  1  0  0  0
  6  7  1  0  0  0
  6 15  1  0  0  0
  7 12  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 14  1  0  0  0
  9 10  2  0  0  0
  9 34  1  0  0  0
 10 11  1  0  0  0
 10 35  1  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
 12 36  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 17 18  1  0  0  0
 17 37  1  0  0  0
 17 38  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 39  1  0  0  0
 21 22  1  0  0  0
 21 40  1  0  0  0
 21 41  1  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
 23 29  1  0  0  0
 24 25  2  0  0  0
 24 42  1  0  0  0
 25 26  1  0  0  0
 25 43  1  0  0  0
 26 27  2  0  0  0
 26 28  1  0  0  0
 27 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL260013

>  <PubChem CID>
24776307

>  <Formula>
C20H15Cl2FN2O4

>  <Molecular Weight>
437.248000

>  <IUPAC Name>
2-[(3S)-5-chloro-1'-[(5-chloro-2-fluorophenyl)methyl]-2,2'-dioxospiro[indole-3,4'-pyrrolidine]-1-yl]acetic acid

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1C(=O)N(CC12C3=C(C=CC(=C3)Cl)N(C2=O)CC(=O)O)CC4=C(C=CC(=C4)Cl)F

>  <Isomeric SMILES>
C1C(=O)N(C[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/C20H15Cl2FN2O4/c21-12-1-3-15(23)11(5-12)8-24-10-20(7-17(24)26)14-6-13(22)2-4-16(14)25(19(20)29)9-18(27)28/h1-6H,7-10H2,(H,27,28)/t20-/m1/s1

>  <InChI Key>
ABVCZPJCOYQLBK-HXUWFJFHSA-N

