
 CHEMBL364005

 32 34  0  0  0  0  0  0  0  0999 V2000
    1.0313    0.1166    0.5033 C   0  0  0  0  0
    2.4927   -0.0229    0.2742 C   0  0  0  0  0
    3.2841   -1.1343    0.0467 C   0  0  0  0  0
    4.6323   -0.6924   -0.1172 C   0  0  0  0  0
    4.6256    0.6955    0.0298 C   0  0  0  0  0
    3.3222    1.0726    0.2614 N   0  0  0  0  0
    5.7843    1.4763   -0.0636 C   0  0  0  0  0
    6.9898    0.8162   -0.3199 C   0  0  0  0  0
    7.0234   -0.5666   -0.4794 C   0  0  0  0  0
    5.8596   -1.3347   -0.3852 C   0  0  0  0  0
    8.5262   -1.3468   -0.7990 Cl  0  0  0  0  0
    2.7989   -2.4756   -0.0159 C   0  0  0  0  0
    2.0017   -2.9400   -0.9943 C   0  0  0  0  0
    1.4748   -4.3423   -1.0252 C   0  0  0  0  0
    1.6076   -5.0512    0.2512 N   0  0  0  0  0
    2.9521   -4.8536    0.8063 C   0  0  0  0  0
    3.2386   -3.3749    1.1135 C   0  0  0  0  0
    0.6522   -0.7032    1.1213 H   0  0  0  0  0
    0.4968    0.1056   -0.4518 H   0  0  0  0  0
    0.7959    1.0548    1.0160 H   0  0  0  0  0
    3.0231    2.0279    0.4005 H   0  0  0  0  0
    5.7549    2.5545    0.0556 H   0  0  0  0  0
    7.9064    1.3959   -0.3974 H   0  0  0  0  0
    5.8955   -2.4112   -0.5186 H   0  0  0  0  0
    1.7148   -2.2911   -1.8174 H   0  0  0  0  0
    0.4126   -4.3191   -1.2935 H   0  0  0  0  0
    1.9874   -4.9031   -1.8153 H   0  0  0  0  0
    0.9274   -4.6569    0.9008 H   0  0  0  0  0
    3.7015   -5.2507    0.1094 H   0  0  0  0  0
    3.0467   -5.4385    1.7281 H   0  0  0  0  0
    4.3100   -3.2698    1.3185 H   0  0  0  0  0
    2.7021   -3.0826    2.0257 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3 12  1  0  0  0
  4 10  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  6 21  1  0  0  0
  7  8  2  0  0  0
  7 22  1  0  0  0
  8  9  1  0  0  0
  8 23  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 10 24  1  0  0  0
 12 17  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 25  1  0  0  0
 14 15  1  0  0  0
 14 26  1  0  0  0
 14 27  1  0  0  0
 15 16  1  0  0  0
 15 28  1  0  0  0
 16 17  1  0  0  0
 16 29  1  0  0  0
 16 30  1  0  0  0
 17 31  1  0  0  0
 17 32  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL364005

>  <PubChem CID>
10131112

>  <Formula>
C14H15ClN2

>  <Molecular Weight>
246.738000

>  <IUPAC Name>
5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole

>  <XlogP>
2.800

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CC1=C(C2=C(N1)C=CC(=C2)Cl)C3=CCNCC3

>  <Isomeric SMILES>
CC1=C(C2=C(N1)C=CC(=C2)Cl)C3=CCNCC3

>  <InChI Std. ID>
InChI=1S/C14H15ClN2/c1-9-14(10-4-6-16-7-5-10)12-8-11(15)2-3-13(12)17-9/h2-4,8,16-17H,5-7H2,1H3

>  <InChI Key>
BPPGPYJBCVXILI-UHFFFAOYSA-N

