
 CHEMBL3416879

 43 46  0  0  0  0  0  0  0  0999 V2000
    0.2254    2.5582   -0.1704 C   0  0  0  0  0
   -0.7842    1.4369   -0.4215 C   0  0  0  0  0
   -0.1404    0.2012   -0.8670 N   0  0  0  0  0
    0.9758   -0.2441   -0.0356 C   0  0  0  0  0
    2.0000    0.8610    0.1982 C   0  0  0  0  0
    1.3602    2.1367    0.7844 C   0  0  0  0  0
    1.0000    2.0207    2.2665 C   0  0  0  0  0
    1.9712    1.5765    3.1831 C   0  0  0  0  0
    1.6928    1.4743    4.5494 C   0  0  0  0  0
    0.4408    1.8331    5.0346 C   0  0  0  0  0
   -0.5257    2.3053    4.1544 C   0  0  0  0  0
   -0.2455    2.4068    2.7876 C   0  0  0  0  0
   -0.8779   -0.8279   -1.4858 C   0  0  0  0  0
   -0.5763   -2.0132   -1.3392 O   0  0  0  0  0
   -2.0223   -0.4673   -2.3236 C   0  0  0  0  0
   -2.0944    0.5701   -3.2393 C   0  0  0  0  0
   -3.3283    0.5444   -3.8315 N   0  0  0  0  0
   -4.0593   -0.5205   -3.3604 C   0  0  0  0  0
   -3.2600   -1.1865   -2.4295 C   0  0  0  0  0
   -3.7751   -2.3460   -1.8096 C   0  0  0  0  0
   -5.0612   -2.7936   -2.1350 C   0  0  0  0  0
   -5.8320   -2.0989   -3.0620 C   0  0  0  0  0
   -5.3510   -0.9489   -3.6950 C   0  0  0  0  0
   -7.4130   -2.6683   -3.4446 Cl  0  0  0  0  0
    0.6752    2.8312   -1.1355 H   0  0  0  0  0
   -0.2850    3.4599    0.1850 H   0  0  0  0  0
   -1.5193    1.7936   -1.1425 H   0  0  0  0  0
   -1.3476    1.1908    0.4850 H   0  0  0  0  0
    0.5650   -0.6095    0.9135 H   0  0  0  0  0
    1.4781   -1.0903   -0.5190 H   0  0  0  0  0
    2.8133    0.4781    0.8226 H   0  0  0  0  0
    2.4576    1.1176   -0.7673 H   0  0  0  0  0
    2.1161    2.9342    0.7411 H   0  0  0  0  0
    2.9717    1.3128    2.8478 H   0  0  0  0  0
    2.4593    1.1205    5.2340 H   0  0  0  0  0
    0.2224    1.7564    6.0961 H   0  0  0  0  0
   -1.5016    2.6028    4.5299 H   0  0  0  0  0
   -1.0322    2.8023    2.1526 H   0  0  0  0  0
   -1.3658    1.3190   -3.5201 H   0  0  0  0  0
   -3.6510    1.1935   -4.5365 H   0  0  0  0  0
   -3.1722   -2.8955   -1.0902 H   0  0  0  0  0
   -5.4478   -3.6906   -1.6583 H   0  0  0  0  0
   -5.9535   -0.4150   -4.4221 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  2 28  1  0  0  0
  3  4  1  0  0  0
  3 13  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 34  1  0  0  0
  9 10  2  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 11 12  2  0  0  0
 11 37  1  0  0  0
 12 38  1  0  0  0
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 15 16  2  0  0  0
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 16 39  1  0  0  0
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 23 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3416879

>  <PubChem CID>
59429617

>  <Formula>
C20H19ClN2O

>  <Molecular Weight>
338.835000

>  <IUPAC Name>
(6-chloro-1H-indol-3-yl)-(4-phenylpiperidin-1-yl)methanone

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
C1CN(CCC1C2=CC=CC=C2)C(=O)C3=CNC4=C3C=CC(=C4)Cl

>  <Isomeric SMILES>
C1CN(CCC1C2=CC=CC=C2)C(=O)C3=CNC4=C3C=CC(=C4)Cl

>  <InChI Std. ID>
InChI=1S/C20H19ClN2O/c21-16-6-7-17-18(13-22-19(17)12-16)20(24)23-10-8-15(9-11-23)14-4-2-1-3-5-14/h1-7,12-13,15,22H,8-11H2

>  <InChI Key>
CVKSYQXMZUFRCL-UHFFFAOYSA-N

