
 CHEMBL371883

 49 52  0  0  0  0  0  0  0  0999 V2000
    5.4209   -6.8222    1.2233 C   0  0  0  0  0
    4.4149   -6.0700    2.0934 C   0  0  0  0  0
    4.6524   -6.2996    3.5615 C   0  0  0  0  0
    4.6081   -7.4918    4.2726 C   0  0  0  0  0
    4.8534   -7.4532    5.6445 C   0  0  0  0  0
    5.1353   -6.2374    6.2812 C   0  0  0  0  0
    5.1759   -5.0418    5.5564 C   0  0  0  0  0
    4.9332   -5.0836    4.1925 C   0  0  0  0  0
    4.9052   -4.0293    3.2501 N   0  0  0  0  0
    4.6395   -4.5512    1.9644 C   0  0  0  0  0
    4.5884   -3.9223    0.9121 O   0  0  0  0  0
    5.1097   -2.6839    3.5680 C   0  0  0  0  0
    5.4201   -2.2607    4.6803 O   0  0  0  0  0
    4.9194   -1.8147    2.5146 N   0  0  0  0  0
    5.0793   -0.3812    2.6315 C   0  0  0  0  0
    6.5338    0.0603    2.4980 C   0  0  0  0  0
    6.6978    1.5640    2.6738 C   0  0  0  0  0
    8.0514    1.8064    2.0357 C   0  0  0  0  0
    8.0209    0.9708    0.8277 N   0  0  0  0  0
    7.1278   -0.1851    1.1041 C   0  0  0  0  0
    7.9900   -1.4410    1.0047 C   0  0  0  0  0
    9.4097   -0.9265    1.1480 C   0  0  0  0  0
    9.3424    0.4351    0.4811 C   0  0  0  0  0
    2.9744   -6.3977    1.6968 C   0  0  0  0  0
    6.4530   -6.5617    1.4867 H   0  0  0  0  0
    5.2862   -6.5792    0.1630 H   0  0  0  0  0
    5.3143   -7.9072    1.3342 H   0  0  0  0  0
    4.3860   -8.4350    3.7818 H   0  0  0  0  0
    4.8240   -8.3713    6.2268 H   0  0  0  0  0
    5.3239   -6.2216    7.3520 H   0  0  0  0  0
    5.3950   -4.1154    6.0777 H   0  0  0  0  0
    4.7726   -2.2165    1.5901 H   0  0  0  0  0
    4.6822   -0.0654    3.6032 H   0  0  0  0  0
    4.4551    0.0747    1.8552 H   0  0  0  0  0
    7.1429   -0.4448    3.2607 H   0  0  0  0  0
    6.6764    1.8627    3.7263 H   0  0  0  0  0
    5.9138    2.1170    2.1412 H   0  0  0  0  0
    8.8421    1.5018    2.7333 H   0  0  0  0  0
    8.2002    2.8609    1.7846 H   0  0  0  0  0
    6.3382   -0.2107    0.3435 H   0  0  0  0  0
    7.8694   -1.8906    0.0111 H   0  0  0  0  0
    7.7523   -2.2052    1.7502 H   0  0  0  0  0
   10.1393   -1.5892    0.6739 H   0  0  0  0  0
    9.6710   -0.8265    2.2081 H   0  0  0  0  0
    9.3912    0.3136   -0.6079 H   0  0  0  0  0
   10.1719    1.0895    0.7699 H   0  0  0  0  0
    2.2539   -5.8204    2.2891 H   0  0  0  0  0
    2.7484   -7.4598    1.8433 H   0  0  0  0  0
    2.7914   -6.1570    0.6432 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2 10  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  5  6  2  0  0  0
  5 29  1  0  0  0
  6  7  1  0  0  0
  6 30  1  0  0  0
  7  8  2  0  0  0
  7 31  1  0  0  0
  8  9  1  0  0  0
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  9 12  1  0  0  0
 10 11  2  0  0  0
 12 14  1  0  0  0
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 15 33  1  0  0  0
 15 34  1  0  0  0
 16 17  1  0  0  0
 16 20  1  0  0  0
 16 35  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL371883

>  <PubChem CID>
11537858

>  <Formula>
C19H25N3O2

>  <Molecular Weight>
327.428000

>  <IUPAC Name>
N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]-3,3-dimethyl-2-oxoindole-1-carboxamide

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1(C2=CC=CC=C2N(C1=O)C(=O)NCC3CCN4C3CCC4)C

>  <Isomeric SMILES>
CC1(C2=CC=CC=C2N(C1=O)C(=O)NC[C@@H]3CCN4[C@H]3CCC4)C

>  <InChI Std. ID>
InChI=1S/C19H25N3O2/c1-19(2)14-6-3-4-7-16(14)22(17(19)23)18(24)20-12-13-9-11-21-10-5-8-15(13)21/h3-4,6-7,13,15H,5,8-12H2,1-2H3,(H,20,24)/t13-,15-/m0/s1

>  <InChI Key>
CXPIFHGPZZDWIL-ZFWWWQNUSA-N

