
 CHEMBL383515

 58 60  0  0  0  0  0  0  0  0999 V2000
   -1.1690   -1.1575   -0.0583 C   0  0  0  0  0
   -1.8035   -0.0229    0.7289 C   0  0  0  0  0
   -0.6743    0.9626    0.8659 C   0  0  0  0  0
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    0.3041   -1.1216    0.3548 C   0  0  0  0  0
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    2.5216   -2.2931   -0.1906 C   0  0  0  0  0
    3.3412   -3.0720   -1.2325 C   0  0  0  0  0
    3.9148   -2.1577   -2.3293 C   0  0  0  0  0
    4.6168   -2.9113   -3.4354 C   0  0  0  0  0
    3.8914   -3.4214   -4.5216 C   0  0  0  0  0
    4.5488   -4.1107   -5.5417 C   0  0  0  0  0
    5.9276   -4.3031   -5.4929 C   0  0  0  0  0
    6.6556   -3.8053   -4.4133 C   0  0  0  0  0
    6.0037   -3.1147   -3.3897 C   0  0  0  0  0
    3.6485   -4.7260   -6.8735 Cl  0  0  0  0  0
    4.4069   -3.7170   -0.5256 O   0  0  0  0  0
    1.8010    0.9045    0.9048 C   0  0  0  0  0
    2.4894    1.5084   -0.3190 C   0  0  0  0  0
    3.8413    2.1153    0.0665 C   0  0  0  0  0
    4.6178    2.6883   -1.0971 C   0  0  0  0  0
    5.0724    4.0142   -1.0573 C   0  0  0  0  0
    5.8588    4.5316   -2.0925 C   0  0  0  0  0
    6.2015    3.7259   -3.1838 C   0  0  0  0  0
    5.7383    2.4085   -3.2392 C   0  0  0  0  0
    4.9589    1.8938   -2.2004 C   0  0  0  0  0
    7.0614    4.2146   -4.2882 C   0  0  0  0  0
    7.2926    3.6243   -5.3283 O   0  0  0  0  0
    7.6316    5.4016   -4.0162 O   0  0  0  0  0
   -1.6396   -2.1237    0.1482 H   0  0  0  0  0
   -1.2766   -0.9541   -1.1319 H   0  0  0  0  0
   -2.1114   -0.3492    1.7271 H   0  0  0  0  0
   -2.6489    0.4182    0.1959 H   0  0  0  0  0
    0.4214   -1.6227    1.3242 H   0  0  0  0  0
    1.3151   -1.1084   -1.5639 H   0  0  0  0  0
    0.6370   -2.6654   -1.1113 H   0  0  0  0  0
    2.3451   -2.9454    0.6748 H   0  0  0  0  0
    3.1316   -1.4667    0.1854 H   0  0  0  0  0
    2.7254   -3.8647   -1.6721 H   0  0  0  0  0
    4.6283   -1.4536   -1.8837 H   0  0  0  0  0
    3.1250   -1.5488   -2.7835 H   0  0  0  0  0
    2.8150   -3.2801   -4.5768 H   0  0  0  0  0
    6.4390   -4.8395   -6.2874 H   0  0  0  0  0
    7.7311   -3.9568   -4.3667 H   0  0  0  0  0
    6.5880   -2.7395   -2.5523 H   0  0  0  0  0
    5.0168   -3.0345   -0.1991 H   0  0  0  0  0
    2.4243    0.1548    1.4003 H   0  0  0  0  0
    1.6333    1.6987    1.6425 H   0  0  0  0  0
    1.8476    2.2789   -0.7650 H   0  0  0  0  0
    2.6203    0.7386   -1.0855 H   0  0  0  0  0
    4.4700    1.3544    0.5465 H   0  0  0  0  0
    3.6752    2.8965    0.8194 H   0  0  0  0  0
    4.8284    4.6558   -0.2125 H   0  0  0  0  0
    6.2043    5.5609   -2.0332 H   0  0  0  0  0
    5.9958    1.7726   -4.0843 H   0  0  0  0  0
    4.6332    0.8602   -2.2600 H   0  0  0  0  0
    8.1947    5.5754   -4.7996 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  1  0  0  0
  5 19  1  0  0  0
  6  7  1  0  0  0
  6 35  1  0  0  0
  7  8  1  0  0  0
  7 36  1  0  0  0
  7 37  1  0  0  0
  8  9  1  0  0  0
  8 38  1  0  0  0
  8 39  1  0  0  0
  9 18  1  0  0  0
  9 10  1  0  0  0
  9 40  1  0  0  0
 10 11  1  0  0  0
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 10 42  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
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 28 30  1  0  0  0
 28 29  2  0  0  0
 30 58  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL383515

>  <PubChem CID>
11339406

>  <Formula>
C24H28ClNO4

>  <Molecular Weight>
429.941000

>  <IUPAC Name>
4-[3-[2-[4-(3-chlorophenyl)-3-hydroxybutyl]-5-oxopyrrolidin-1-yl]propyl]benzoic acid

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC(=O)N(C1CCC(CC2=CC(=CC=C2)Cl)O)CCCC3=CC=C(C=C3)C(=O)O

>  <Isomeric SMILES>
C1CC(=O)N(C1CCC(CC2=CC(=CC=C2)Cl)O)CCCC3=CC=C(C=C3)C(=O)O

>  <InChI Std. ID>
InChI=1S/C24H28ClNO4/c25-20-5-1-3-18(15-20)16-22(27)12-10-21-11-13-23(28)26(21)14-2-4-17-6-8-19(9-7-17)24(29)30/h1,3,5-9,15,21-22,27H,2,4,10-14,16H2,(H,29,30)

>  <InChI Key>
APXHYSJSTXRVDF-UHFFFAOYSA-N

