
 CHEMBL604115

 48 52  0  0  0  0  0  0  0  0999 V2000
   -0.1366    1.0187   -3.8757 C   0  0  0  0  0
    0.7881    0.3463   -2.8382 C   0  0  0  0  0
    0.1188   -0.6580   -1.9873 N   0  0  0  0  0
   -0.4279   -1.7087   -2.8627 C   0  0  0  0  0
   -1.2354   -1.1976   -4.0192 C   0  0  0  0  0
   -1.1510    0.0652   -4.4786 C   0  0  0  0  0
   -1.9981    0.6148   -5.4993 C   0  0  0  0  0
   -1.5982    1.5490   -6.4330 C   0  0  0  0  0
   -2.6710    1.8485   -7.2286 N   0  0  0  0  0
   -3.7741    1.1292   -6.8353 C   0  0  0  0  0
   -5.0731    1.1234   -7.3596 C   0  0  0  0  0
   -6.0166    0.2920   -6.7519 C   0  0  0  0  0
   -5.6750   -0.4938   -5.6561 C   0  0  0  0  0
   -4.3731   -0.4707   -5.1411 C   0  0  0  0  0
   -3.3889    0.3458   -5.7440 C   0  0  0  0  0
   -0.8941   -0.0154   -1.1219 C   0  0  0  0  0
   -1.5212   -0.9490   -0.0723 C   0  0  0  0  0
   -2.4954   -0.2306    0.8066 C   0  0  0  0  0
   -2.2433    0.3239    2.0459 C   0  0  0  0  0
   -3.3640    0.8832    2.5680 O   0  0  0  0  0
   -4.3611    0.6968    1.6627 C   0  0  0  0  0
   -3.8793    0.0211    0.5471 C   0  0  0  0  0
   -4.7723   -0.2537   -0.5065 C   0  0  0  0  0
   -6.1063    0.1559   -0.3761 C   0  0  0  0  0
   -6.5560    0.8255    0.7645 C   0  0  0  0  0
   -5.6814    1.1152    1.8178 C   0  0  0  0  0
   -7.2149   -0.1817   -1.6519 Cl  0  0  0  0  0
    0.5063    1.4461   -4.6543 H   0  0  0  0  0
   -0.6686    1.8505   -3.3966 H   0  0  0  0  0
    1.6173   -0.1459   -3.3659 H   0  0  0  0  0
    1.2642    1.1152   -2.2167 H   0  0  0  0  0
   -1.0260   -2.4226   -2.2887 H   0  0  0  0  0
    0.4043   -2.3014   -3.2652 H   0  0  0  0  0
   -1.9164   -1.9091   -4.4761 H   0  0  0  0  0
   -0.6457    2.0292   -6.6096 H   0  0  0  0  0
   -2.6622    2.5077   -7.9941 H   0  0  0  0  0
   -5.3453    1.7436   -8.2074 H   0  0  0  0  0
   -7.0334    0.2644   -7.1367 H   0  0  0  0  0
   -6.4252   -1.1282   -5.1901 H   0  0  0  0  0
   -4.1332   -1.0804   -4.2766 H   0  0  0  0  0
   -1.6947    0.4504   -1.7094 H   0  0  0  0  0
   -0.4030    0.8029   -0.5767 H   0  0  0  0  0
   -0.7318   -1.3971    0.5438 H   0  0  0  0  0
   -2.0521   -1.7769   -0.5547 H   0  0  0  0  0
   -1.3592    0.3941    2.6648 H   0  0  0  0  0
   -4.4356   -0.7712   -1.3990 H   0  0  0  0  0
   -7.5977    1.1295    0.8427 H   0  0  0  0  0
   -6.0066    1.6340    2.7115 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  2 31  1  0  0  0
  3  4  1  0  0  0
  3 16  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5  6  2  0  0  0
  5 34  1  0  0  0
  6  7  1  0  0  0
  7 15  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 35  1  0  0  0
  9 10  1  0  0  0
  9 36  1  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 37  1  0  0  0
 12 13  2  0  0  0
 12 38  1  0  0  0
 13 14  1  0  0  0
 13 39  1  0  0  0
 14 15  2  0  0  0
 14 40  1  0  0  0
 16 17  1  0  0  0
 16 41  1  0  0  0
 16 42  1  0  0  0
 17 18  1  0  0  0
 17 43  1  0  0  0
 17 44  1  0  0  0
 18 19  2  0  0  0
 18 22  1  0  0  0
 19 20  1  0  0  0
 19 45  1  0  0  0
 20 21  1  0  0  0
 21 26  1  0  0  0
 21 22  2  0  0  0
 22 23  1  0  0  0
 23 24  2  0  0  0
 23 46  1  0  0  0
 24 25  1  0  0  0
 24 27  1  0  0  0
 25 26  2  0  0  0
 25 47  1  0  0  0
 26 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL604115

>  <PubChem CID>
11360898

>  <Formula>
C23H21ClN2O

>  <Molecular Weight>
376.884000

>  <IUPAC Name>
3-[1-[2-(5-chloro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CN(CC=C1C2=CNC3=CC=CC=C32)CCC4=COC5=C4C=C(C=C5)Cl

>  <Isomeric SMILES>
C1CN(CC=C1C2=CNC3=CC=CC=C32)CCC4=COC5=C4C=C(C=C5)Cl

>  <InChI Std. ID>
InChI=1S/C23H21ClN2O/c24-18-5-6-23-20(13-18)17(15-27-23)9-12-26-10-7-16(8-11-26)21-14-25-22-4-2-1-3-19(21)22/h1-7,13-15,25H,8-12H2

>  <InChI Key>
AIIAMGCKUJEASL-UHFFFAOYSA-N

