
 CHEMBL263700

 43 45  0  0  0  0  0  0  0  0999 V2000
    3.6101   -1.0559    2.7707 C   0  0  0  0  0
    3.5226   -0.5136    1.4114 N   0  0  0  0  0
    2.1588   -0.6762    0.9033 C   0  0  0  0  0
    3.9506    0.9006    1.4086 C   0  0  0  0  0
    4.0711    1.5037   -0.0009 C   0  0  0  0  0
    4.6566    2.8844    0.0090 C   0  0  0  0  0
    5.9984    3.1987   -0.0090 C   0  0  0  0  0
    6.1669    4.5710   -0.1003 N   0  0  0  0  0
    4.8966    5.1535    0.0099 C   0  0  0  0  0
    3.9514    4.1200    0.0556 C   0  0  0  0  0
    2.5809    4.4475    0.1384 C   0  0  0  0  0
    2.1939    5.7845    0.1842 C   0  0  0  0  0
    3.1306    6.8046    0.1427 C   0  0  0  0  0
    4.4935    6.5048    0.0499 C   0  0  0  0  0
    0.8587    6.0525    0.2739 O   0  0  0  0  0
    7.4075    5.2510   -0.2470 C   0  0  0  0  0
    7.4087    6.4755   -0.1370 O   0  0  0  0  0
    8.7196    4.5998   -0.5089 C   0  0  0  0  0
    9.8581    5.1418    0.1020 C   0  0  0  0  0
   11.1135    4.5723   -0.1174 C   0  0  0  0  0
   11.2377    3.4628   -0.9524 C   0  0  0  0  0
   10.1129    2.9377   -1.5880 C   0  0  0  0  0
    8.8572    3.5153   -1.3836 C   0  0  0  0  0
    4.6385   -0.9958    3.1451 H   0  0  0  0  0
    3.3381   -2.1175    2.7806 H   0  0  0  0  0
    2.9546   -0.5244    3.4706 H   0  0  0  0  0
    1.8439   -1.7238    0.9720 H   0  0  0  0  0
    2.0996   -0.4165   -0.1575 H   0  0  0  0  0
    1.4361   -0.0647    1.4554 H   0  0  0  0  0
    4.9406    0.9636    1.8828 H   0  0  0  0  0
    3.2738    1.5133    2.0210 H   0  0  0  0  0
    3.0899    1.5440   -0.4862 H   0  0  0  0  0
    4.7005    0.8574   -0.6252 H   0  0  0  0  0
    6.8488    2.5331    0.0244 H   0  0  0  0  0
    1.8258    3.6677    0.1748 H   0  0  0  0  0
    2.8286    7.8474    0.1782 H   0  0  0  0  0
    5.2183    7.3140    0.0127 H   0  0  0  0  0
    0.7403    7.0163    0.3021 H   0  0  0  0  0
    9.7720    6.0133    0.7483 H   0  0  0  0  0
   11.9939    4.9969    0.3597 H   0  0  0  0  0
   12.2147    3.0161   -1.1193 H   0  0  0  0  0
   10.2166    2.0836   -2.2529 H   0  0  0  0  0
    8.0047    3.1146   -1.9264 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  5 33  1  0  0  0
  6  7  2  0  0  0
  6 10  1  0  0  0
  7  8  1  0  0  0
  7 34  1  0  0  0
  8  9  1  0  0  0
  8 16  1  0  0  0
  9 14  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 35  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 36  1  0  0  0
 14 37  1  0  0  0
 15 38  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 39  1  0  0  0
 20 21  2  0  0  0
 20 40  1  0  0  0
 21 22  1  0  0  0
 21 41  1  0  0  0
 22 23  2  0  0  0
 22 42  1  0  0  0
 23 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL263700

>  <PubChem CID>
9796627

>  <Formula>
C19H20N2O2

>  <Molecular Weight>
308.381000

>  <IUPAC Name>
[3-[2-(dimethylamino)ethyl]-5-hydroxyindol-1-yl]-phenylmethanone

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN(C)CCC1=CN(C2=C1C=C(C=C2)O)C(=O)C3=CC=CC=C3

>  <Isomeric SMILES>
CN(C)CCC1=CN(C2=C1C=C(C=C2)O)C(=O)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C19H20N2O2/c1-20(2)11-10-15-13-21(18-9-8-16(22)12-17(15)18)19(23)14-6-4-3-5-7-14/h3-9,12-13,22H,10-11H2,1-2H3

>  <InChI Key>
UJELDYRUBKQNKE-UHFFFAOYSA-N

