
 CHEMBL409714

 44 47  0  0  0  0  0  0  0  0999 V2000
    1.8668   -0.0580    1.4758 C   0  0  0  0  0
    2.8543    0.9216    0.8996 C   0  0  0  0  0
    3.6541    1.5727    1.5540 O   0  0  0  0  0
    2.7125    0.9434   -0.4722 N   0  0  0  0  0
    1.7287    0.0009   -0.9490 C   0  0  0  0  0
    0.9387   -0.3719    0.3007 C   0  0  0  0  0
   -0.4102    0.2990    0.3981 C   0  0  0  0  0
   -1.4095   -0.6780    0.4389 C   0  0  0  0  0
   -2.7494   -0.3435    0.5112 C   0  0  0  0  0
   -3.0825    1.0149    0.5483 C   0  0  0  0  0
   -2.0799    1.9979    0.5091 C   0  0  0  0  0
   -0.7305    1.6485    0.4333 C   0  0  0  0  0
   -2.5226    3.6606    0.5494 Cl  0  0  0  0  0
   -0.8201   -1.9446    0.3883 N   0  0  0  0  0
    0.5675   -1.8602    0.2684 C   0  0  0  0  0
    1.3441   -2.7962    0.1564 O   0  0  0  0  0
   -1.5372   -3.1992    0.3012 C   0  0  0  0  0
   -1.8922   -3.6051   -1.1214 C   0  0  0  0  0
   -2.5325   -4.6012   -1.4257 O   0  0  0  0  0
   -1.4401   -2.7807   -2.0883 O   0  0  0  0  0
    3.5774    1.6882   -1.3688 C   0  0  0  0  0
    2.9352    2.9602   -1.8505 C   0  0  0  0  0
    2.6812    3.1617   -3.2096 C   0  0  0  0  0
    2.1152    4.3471   -3.6741 C   0  0  0  0  0
    1.7881    5.3581   -2.7704 C   0  0  0  0  0
    2.0329    5.1723   -1.4104 C   0  0  0  0  0
    2.6070    3.9864   -0.9489 C   0  0  0  0  0
    1.6282    6.4156   -0.2932 Cl  0  0  0  0  0
    2.9868    2.2048   -4.0969 F   0  0  0  0  0
    2.4228   -0.9358    1.8221 H   0  0  0  0  0
    1.3472    0.3997    2.3236 H   0  0  0  0  0
    1.1178    0.4702   -1.7273 H   0  0  0  0  0
    2.2677   -0.8471   -1.3857 H   0  0  0  0  0
   -3.5331   -1.0917    0.5401 H   0  0  0  0  0
   -4.1283    1.3086    0.6072 H   0  0  0  0  0
    0.0392    2.4137    0.3995 H   0  0  0  0  0
   -2.4536   -3.1400    0.8955 H   0  0  0  0  0
   -0.8989   -3.9892    0.7115 H   0  0  0  0  0
   -1.7242   -3.2119   -2.9218 H   0  0  0  0  0
    3.8511    1.0279   -2.1991 H   0  0  0  0  0
    4.5069    1.9451   -0.8470 H   0  0  0  0  0
    1.9367    4.4769   -4.7373 H   0  0  0  0  0
    1.3487    6.2849   -3.1299 H   0  0  0  0  0
    2.8094    3.8606    0.1138 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
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  9 10  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL409714

>  <PubChem CID>
24776308

>  <Formula>
C20H15Cl2FN2O4

>  <Molecular Weight>
437.248000

>  <IUPAC Name>
2-[(3R)-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-/m0/s1

>  <InChI Key>
ABVCZPJCOYQLBK-FQEVSTJZSA-N

