
 CHEMBL297660

 43 45  0  0  0  0  0  0  0  0999 V2000
    1.8233   -0.4276    1.0588 C   0  0  0  0  0
    2.7335   -0.1064   -0.1298 C   0  0  0  0  0
    2.0197   -0.3844   -1.4548 C   0  0  0  0  0
    3.2573    1.3192   -0.0764 C   0  0  0  0  0
    2.3808    2.4212   -0.0474 C   0  0  0  0  0
    2.8898    3.7373   -0.0026 C   0  0  0  0  0
    4.2719    3.9136    0.0029 C   0  0  0  0  0
    5.1707    2.8435   -0.0274 C   0  0  0  0  0
    4.6395    1.5492   -0.0662 C   0  0  0  0  0
    4.5074    5.2678    0.0430 N   0  0  0  0  0
    3.3235    5.9540    0.0685 C   0  0  0  0  0
    2.2900    5.0380    0.0456 C   0  0  0  0  0
    0.8244    5.3505    0.0750 C   0  0  0  0  0
    0.2186    5.4316   -1.3359 C   0  0  0  0  0
   -1.2151    5.7583   -1.3283 N   0  0  0  0  0
   -1.7393    5.9295   -2.6855 C   0  0  0  0  0
   -3.2385    5.9250   -2.4526 C   0  0  0  0  0
   -3.4382    4.9466   -1.3035 C   0  0  0  0  0
   -2.0470    4.7164   -0.7215 C   0  0  0  0  0
    2.3343   -0.2307    2.0076 H   0  0  0  0  0
    1.5350   -1.4844    1.0465 H   0  0  0  0  0
    0.9030    0.1660    1.0447 H   0  0  0  0  0
    3.5876   -0.7944   -0.0706 H   0  0  0  0  0
    1.1255    0.2366   -1.5754 H   0  0  0  0  0
    1.7084   -1.4328   -1.5123 H   0  0  0  0  0
    2.6815   -0.1844   -2.3047 H   0  0  0  0  0
    1.3056    2.2704   -0.0590 H   0  0  0  0  0
    6.2440    3.0020   -0.0194 H   0  0  0  0  0
    5.3314    0.7089   -0.0895 H   0  0  0  0  0
    5.4252    5.6888    0.0558 H   0  0  0  0  0
    3.3140    7.0353    0.1055 H   0  0  0  0  0
    0.6667    6.3018    0.5986 H   0  0  0  0  0
    0.3155    4.5815    0.6677 H   0  0  0  0  0
    0.3992    4.4916   -1.8759 H   0  0  0  0  0
    0.7521    6.2158   -1.8911 H   0  0  0  0  0
   -1.4569    5.0953   -3.3401 H   0  0  0  0  0
   -1.4066    6.8667   -3.1427 H   0  0  0  0  0
   -3.5817    6.9225   -2.1521 H   0  0  0  0  0
   -3.7973    5.6315   -3.3460 H   0  0  0  0  0
   -4.1255    5.3645   -0.5593 H   0  0  0  0  0
   -3.8639    4.0027   -1.6631 H   0  0  0  0  0
   -2.0626    4.7955    0.3703 H   0  0  0  0  0
   -1.7029    3.7103   -0.9904 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  6 12  1  0  0  0
  6  7  2  0  0  0
  7 10  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 28  1  0  0  0
  9 29  1  0  0  0
 10 11  1  0  0  0
 10 30  1  0  0  0
 11 12  2  0  0  0
 11 31  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 32  1  0  0  0
 13 33  1  0  0  0
 14 15  1  0  0  0
 14 34  1  0  0  0
 14 35  1  0  0  0
 15 19  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 36  1  0  0  0
 16 37  1  0  0  0
 17 18  1  0  0  0
 17 38  1  0  0  0
 17 39  1  0  0  0
 18 19  1  0  0  0
 18 40  1  0  0  0
 18 41  1  0  0  0
 19 42  1  0  0  0
 19 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL297660

>  <PubChem CID>
10912152

>  <Formula>
C17H24N2

>  <Molecular Weight>
256.393000

>  <IUPAC Name>
5-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)-1H-indole

>  <XlogP>
3.600

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CC(C)C1=CC2=C(C=C1)NC=C2CCN3CCCC3

>  <Isomeric SMILES>
CC(C)C1=CC2=C(C=C1)NC=C2CCN3CCCC3

>  <InChI Std. ID>
InChI=1S/C17H24N2/c1-13(2)14-5-6-17-16(11-14)15(12-18-17)7-10-19-8-3-4-9-19/h5-6,11-13,18H,3-4,7-10H2,1-2H3

>  <InChI Key>
BCHGFZYQLYUXBO-UHFFFAOYSA-N

