
 CHEMBL524085

 48 52  0  0  0  0  0  0  0  0999 V2000
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   -2.2649   -1.1621    0.5376 C   0  0  0  0  0
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   -0.8856    0.3487   -1.5462 C   0  0  0  0  0
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    1.2974   -0.0103   -0.3315 C   0  0  0  0  0
    1.7558    1.1884    0.1932 C   0  0  0  0  0
    3.1371    1.3814    0.3059 C   0  0  0  0  0
    4.0387    0.3833   -0.1007 C   0  0  0  0  0
    3.5684   -0.8204   -0.6284 C   0  0  0  0  0
    2.1964   -0.9810   -0.7286 C   0  0  0  0  0
    1.4615   -2.1303   -1.2353 C   0  0  0  0  0
    1.9296   -3.1626   -1.6711 O   0  0  0  0  0
    0.1342   -1.8166   -1.1342 O   0  0  0  0  0
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   -3.4845    1.1561    1.3526 O   0  0  0  0  0
   -4.5029    1.4297   -0.6974 N   0  0  0  0  0
   -5.2374    2.5307   -0.3418 C   0  0  0  0  0
   -5.1182    3.4990    0.6215 C   0  0  0  0  0
   -6.2398    4.3456    0.4262 C   0  0  0  0  0
   -6.9965    3.8965   -0.5882 N   0  0  0  0  0
   -6.3482    2.7797   -1.0831 O   0  0  0  0  0
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   -5.6010    6.5117    1.4558 C   0  0  0  0  0
   -5.9386    7.6911    2.1271 C   0  0  0  0  0
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   -8.2452    6.9718    2.2339 C   0  0  0  0  0
   -7.9100    5.7975    1.5527 C   0  0  0  0  0
   -7.6734    9.3709    3.3313 Cl  0  0  0  0  0
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   -0.8529    0.2497    1.3449 H   0  0  0  0  0
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    3.5197    2.3132    0.7181 H   0  0  0  0  0
    5.1090    0.5499   -0.0012 H   0  0  0  0  0
    4.2484   -1.6039   -0.9440 H   0  0  0  0  0
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   -4.3362    3.5884    1.3603 H   0  0  0  0  0
   -4.5693    6.3593    1.1467 H   0  0  0  0  0
   -5.1710    8.4312    2.3368 H   0  0  0  0  0
   -9.2750    7.1444    2.5356 H   0  0  0  0  0
   -8.6887    5.0691    1.3323 H   0  0  0  0  0
  1  2  1  0  0  0
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  4  5  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL524085

>  <PubChem CID>
44583541

>  <Formula>
C22H18ClN3O4

>  <Molecular Weight>
423.853000

>  <IUPAC Name>
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCC12C3=CC=CC=C3C(=O)O2)C(=O)NC4=CC(=NO4)C5=CC=C(C=C5)Cl

>  <Isomeric SMILES>
C1CN(CCC12C3=CC=CC=C3C(=O)O2)C(=O)NC4=CC(=NO4)C5=CC=C(C=C5)Cl

>  <InChI Std. ID>
InChI=1S/C22H18ClN3O4/c23-15-7-5-14(6-8-15)18-13-19(30-25-18)24-21(28)26-11-9-22(10-12-26)17-4-2-1-3-16(17)20(27)29-22/h1-8,13H,9-12H2,(H,24,28)

>  <InChI Key>
SMBZAHVWKGZUJJ-UHFFFAOYSA-N

