
 CHEMBL2047444

 38 40  0  0  0  0  0  0  0  0999 V2000
    4.1455   -0.4867    2.3968 C   0  0  0  0  0
    4.4125   -0.4682    0.9211 C   0  0  0  0  0
    4.5388   -1.6768    0.2111 C   0  0  0  0  0
    4.8011   -1.7021   -1.1579 C   0  0  0  0  0
    4.9624   -0.5131   -1.8721 C   0  0  0  0  0
    4.8742    0.7132   -1.1892 C   0  0  0  0  0
    4.6056    0.7107    0.1775 C   0  0  0  0  0
    4.5716    2.0297    0.5694 N   0  0  0  0  0
    4.8806    2.8783   -0.4739 C   0  0  0  0  0
    5.0026    2.0712   -1.5911 C   0  0  0  0  0
    4.9589    4.3108   -0.2637 C   0  0  0  0  0
    4.3924    4.8284    0.6997 O   0  0  0  0  0
    5.7156    5.0802   -1.1281 N   0  0  0  0  0
    5.8082    6.5187   -0.9488 C   0  0  0  0  0
    6.6344    7.0032   -2.1328 C   0  0  0  0  0
    7.5971    5.8340   -2.3641 C   0  0  0  0  0
    6.6758    4.6249   -2.1242 C   0  0  0  0  0
    8.2245    5.9050   -3.6841 N   0  0  0  0  0
    9.1473    4.8004   -3.9139 C   0  0  0  0  0
    3.5723   -1.3754    2.6807 H   0  0  0  0  0
    3.5622    0.3883    2.6999 H   0  0  0  0  0
    5.0921   -0.4880    2.9459 H   0  0  0  0  0
    4.4231   -2.6232    0.7370 H   0  0  0  0  0
    4.8828   -2.6546   -1.6751 H   0  0  0  0  0
    5.1670   -0.5380   -2.9380 H   0  0  0  0  0
    4.3763    2.3542    1.5071 H   0  0  0  0  0
    5.1786    2.4021   -2.6043 H   0  0  0  0  0
    6.3212    6.7128    0.0002 H   0  0  0  0  0
    4.8117    6.9692   -0.9117 H   0  0  0  0  0
    5.9831    7.1485   -3.0045 H   0  0  0  0  0
    7.1463    7.9480   -1.9271 H   0  0  0  0  0
    8.3682    5.8646   -1.5816 H   0  0  0  0  0
    6.1167    4.3745   -3.0321 H   0  0  0  0  0
    7.2323    3.7511   -1.7729 H   0  0  0  0  0
    8.7300    6.7869   -3.7719 H   0  0  0  0  0
    8.6295    3.8360   -3.9107 H   0  0  0  0  0
    9.9465    4.7816   -3.1662 H   0  0  0  0  0
    9.6103    4.9139   -4.8991 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  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 23  1  0  0  0
  4  5  2  0  0  0
  4 24  1  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  6 10  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 26  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 10 27  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 17  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 28  1  0  0  0
 14 29  1  0  0  0
 15 16  1  0  0  0
 15 30  1  0  0  0
 15 31  1  0  0  0
 16 17  1  0  0  0
 16 18  1  0  0  0
 16 32  1  0  0  0
 17 33  1  0  0  0
 17 34  1  0  0  0
 18 19  1  0  0  0
 18 35  1  0  0  0
 19 36  1  0  0  0
 19 37  1  0  0  0
 19 38  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2047444

>  <PubChem CID>
24764570

>  <Formula>
C15H19N3O

>  <Molecular Weight>
257.337000

>  <IUPAC Name>
[(3R)-3-(methylamino)pyrrolidin-1-yl]-(7-methyl-1H-indol-2-yl)methanone

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=CC=CC2=C1NC(=C2)C(=O)N3CCC(C3)NC

>  <Isomeric SMILES>
CC1=CC=CC2=C1NC(=C2)C(=O)N3CC[C@H](C3)NC

>  <InChI Std. ID>
InChI=1S/C15H19N3O/c1-10-4-3-5-11-8-13(17-14(10)11)15(19)18-7-6-12(9-18)16-2/h3-5,8,12,16-17H,6-7,9H2,1-2H3/t12-/m1/s1

>  <InChI Key>
AEPVGIPVZCQCFW-GFCCVEGCSA-N

