
 CHEMBL3752128

 47 50  0  0  0  0  0  0  0  0999 V2000
    1.1773    0.1142    0.2655 C   0  0  0  0  0
    2.6751    0.0595   -0.0594 C   0  0  0  0  0
    2.8689   -0.6396   -1.3949 C   0  0  0  0  0
    2.7700    0.0383   -2.6173 C   0  0  0  0  0
    2.9306   -0.6421   -3.8313 C   0  0  0  0  0
    3.1835   -2.0232   -3.8714 C   0  0  0  0  0
    3.2675   -2.6953   -2.6400 C   0  0  0  0  0
    3.1093   -2.0191   -1.4241 C   0  0  0  0  0
    3.3534   -2.7433   -5.1543 C   0  0  0  0  0
    4.0663   -2.1741   -6.2249 C   0  0  0  0  0
    4.2283   -2.8530   -7.4368 C   0  0  0  0  0
    3.6857   -4.1244   -7.6025 C   0  0  0  0  0
    2.9786   -4.7129   -6.5595 C   0  0  0  0  0
    2.8112   -4.0274   -5.3514 C   0  0  0  0  0
    3.2039    1.4352    0.0041 N   0  0  0  0  0
    4.6639    1.4786   -0.1199 C   0  0  0  0  0
    5.1375    2.8958   -0.1261 C   0  0  0  0  0
    6.4166    3.4189   -0.1160 C   0  0  0  0  0
    6.3165    4.8381   -0.1455 C   0  0  0  0  0
    7.2543    5.8884   -0.1557 C   0  0  0  0  0
    6.7999    7.2133   -0.1728 C   0  0  0  0  0
    5.4358    7.4971   -0.1776 C   0  0  0  0  0
    4.4864    6.4705   -0.1796 C   0  0  0  0  0
    4.9587    5.1528   -0.1680 C   0  0  0  0  0
    4.2731    3.9631   -0.1919 N   0  0  0  0  0
    1.0031    0.5577    1.2532 H   0  0  0  0  0
    0.7387   -0.8907    0.2751 H   0  0  0  0  0
    0.6230    0.7084   -0.4718 H   0  0  0  0  0
    3.1660   -0.5294    0.7268 H   0  0  0  0  0
    2.5737    1.1102   -2.6316 H   0  0  0  0  0
    2.8405   -0.0730   -4.7530 H   0  0  0  0  0
    3.4705   -3.7652   -2.6122 H   0  0  0  0  0
    3.1740   -2.5856   -0.4995 H   0  0  0  0  0
    4.5196   -1.1909   -6.1211 H   0  0  0  0  0
    4.7818   -2.3893   -8.2481 H   0  0  0  0  0
    3.8138   -4.6548   -8.5429 H   0  0  0  0  0
    2.5517   -5.7046   -6.6826 H   0  0  0  0  0
    2.2365   -4.5074   -4.5623 H   0  0  0  0  0
    2.9731    1.8053    0.9264 H   0  0  0  0  0
    5.0055    1.0080   -1.0486 H   0  0  0  0  0
    5.1300    0.9479    0.7198 H   0  0  0  0  0
    7.3328    2.8422   -0.0947 H   0  0  0  0  0
    8.3199    5.6755   -0.1511 H   0  0  0  0  0
    7.5205    8.0264   -0.1813 H   0  0  0  0  0
    5.1027    8.5315   -0.1859 H   0  0  0  0  0
    3.4236    6.6929   -0.1885 H   0  0  0  0  0
    3.2694    3.8648   -0.2504 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2 15  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  5  6  2  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 32  1  0  0  0
  8 33  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 34  1  0  0  0
 11 12  2  0  0  0
 11 35  1  0  0  0
 12 13  1  0  0  0
 12 36  1  0  0  0
 13 14  2  0  0  0
 13 37  1  0  0  0
 14 38  1  0  0  0
 15 16  1  0  0  0
 15 39  1  0  0  0
 16 17  1  0  0  0
 16 40  1  0  0  0
 16 41  1  0  0  0
 17 25  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 18 42  1  0  0  0
 19 24  1  0  0  0
 19 20  2  0  0  0
 20 21  1  0  0  0
 20 43  1  0  0  0
 21 22  2  0  0  0
 21 44  1  0  0  0
 22 23  1  0  0  0
 22 45  1  0  0  0
 23 24  2  0  0  0
 23 46  1  0  0  0
 24 25  1  0  0  0
 25 47  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3752128

>  <PubChem CID>
57385843

>  <Formula>
C23H22N2

>  <Molecular Weight>
326.443000

>  <IUPAC Name>
N-(1H-indol-2-ylmethyl)-1-(4-phenylphenyl)ethanamine

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CC(C1=CC=C(C=C1)C2=CC=CC=C2)NCC3=CC4=CC=CC=C4N3

>  <Isomeric SMILES>
CC(C1=CC=C(C=C1)C2=CC=CC=C2)NCC3=CC4=CC=CC=C4N3

>  <InChI Std. ID>
InChI=1S/C23H22N2/c1-17(24-16-22-15-21-9-5-6-10-23(21)25-22)18-11-13-20(14-12-18)19-7-3-2-4-8-19/h2-15,17,24-25H,16H2,1H3

>  <InChI Key>
BVBYQIRTNZSZEM-UHFFFAOYSA-N

