
 CHEMBL544579

 49 51  0  0  0  0  0  0  0  0999 V2000
    3.8604   -1.1900    0.6950 C   0  0  0  0  0
    3.2188   -0.6065   -0.5713 C   0  0  0  0  0
    3.1758   -1.6629   -1.6859 C   0  0  0  0  0
    2.4063   -2.8247   -1.4627 C   0  0  0  0  0
    2.3196   -3.8293   -2.4214 C   0  0  0  0  0
    2.9929   -3.7087   -3.6294 C   0  0  0  0  0
    3.7677   -2.5746   -3.8977 C   0  0  0  0  0
    4.4383   -2.4753   -5.1272 C   0  0  0  0  0
    5.2148   -1.3567   -5.4178 C   0  0  0  0  0
    5.3335   -0.3292   -4.4877 C   0  0  0  0  0
    4.6784   -0.4070   -3.2569 C   0  0  0  0  0
    3.8754   -1.5313   -2.9318 C   0  0  0  0  0
    1.8785   -0.0760   -0.2445 N   0  0  0  0  0
    1.1537    0.5398   -1.3695 C   0  0  0  0  0
    1.9397    1.6355   -2.0305 C   0  0  0  0  0
    2.4693    2.7593   -1.4010 C   0  0  0  0  0
    3.1219    3.4617   -2.3929 C   0  0  0  0  0
    2.9552    2.7679   -3.5603 C   0  0  0  0  0
    2.2379    1.6532   -3.3505 N   0  0  0  0  0
    3.4904    3.2145   -4.7635 C   0  0  0  0  0
    4.2288    4.4109   -4.7535 C   0  0  0  0  0
    4.4262    5.1315   -3.5498 C   0  0  0  0  0
    3.8514    4.6468   -2.3424 C   0  0  0  0  0
    5.1743    6.2652   -3.5926 O   0  0  0  0  0
    5.6230    6.9612   -2.4891 C   0  0  0  0  0
   -0.2891    4.6034   -4.9767 Cl  0  0  0  0  0
    3.9171   -0.4097    1.4839 H   0  0  0  0  0
    4.8913   -1.5403    0.4734 H   0  0  0  0  0
    3.2734   -2.0422    1.0966 H   0  0  0  0  0
    3.8550    0.2532   -0.8193 H   0  0  0  0  0
    1.8665   -2.9566   -0.5349 H   0  0  0  0  0
    1.7235   -4.7112   -2.2243 H   0  0  0  0  0
    2.9104   -4.5043   -4.3607 H   0  0  0  0  0
    4.3587   -3.2664   -5.8633 H   0  0  0  0  0
    5.7277   -1.2867   -6.3683 H   0  0  0  0  0
    5.9391    0.5378   -4.7203 H   0  0  0  0  0
    4.8182    0.4238   -2.5917 H   0  0  0  0  0
    1.2730   -0.8222    0.1701 H   0  0  0  0  0
    0.2127    0.9804   -0.9775 H   0  0  0  0  0
    0.8765   -0.2337   -2.1191 H   0  0  0  0  0
    2.3977    3.0179   -0.3522 H   0  0  0  0  0
    1.9696    0.9387   -4.0638 H   0  0  0  0  0
    3.3485    2.6552   -5.6790 H   0  0  0  0  0
    4.6621    4.7761   -5.6762 H   0  0  0  0  0
    3.9718    5.1660   -1.4015 H   0  0  0  0  0
    6.2090    7.8390   -2.8312 H   0  0  0  0  0
    6.2880    6.3114   -1.8799 H   0  0  0  0  0
    4.7715    7.3228   -1.8756 H   0  0  0  0  0
    0.1852    4.7441   -3.6935 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2 13  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  3  4  2  0  0  0
  3 12  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  5  6  2  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 34  1  0  0  0
  9 10  2  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 11 12  2  0  0  0
 11 37  1  0  0  0
 13 14  1  0  0  0
 13 38  1  0  0  0
 14 15  1  0  0  0
 14 39  1  0  0  0
 14 40  1  0  0  0
 15 16  2  0  0  0
 15 19  1  0  0  0
 16 17  1  0  0  0
 16 41  1  0  0  0
 17 23  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 18 20  1  0  0  0
 19 42  1  0  0  0
 20 21  2  0  0  0
 20 43  1  0  0  0
 21 22  1  0  0  0
 21 44  1  0  0  0
 22 23  2  0  0  0
 22 24  1  0  0  0
 23 45  1  0  0  0
 24 25  1  0  0  0
 25 46  1  0  0  0
 25 47  1  0  0  0
 25 48  1  0  0  0
 26 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL544579

>  <PubChem CID>
45261603

>  <Formula>
C22H23ClN2O

>  <Molecular Weight>
366.889000

>  <IUPAC Name>
N-[(5-methoxy-1H-indol-2-yl)methyl]-1-naphthalen-1-ylethanamine;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(C1=CC=CC2=CC=CC=C21)NCC3=CC4=C(N3)C=CC(=C4)OC.Cl

>  <Isomeric SMILES>
CC(C1=CC=CC2=CC=CC=C21)NCC3=CC4=C(N3)C=CC(=C4)OC.Cl

>  <InChI Std. ID>
InChI=1S/C22H22N2O.ClH/c1-15(20-9-5-7-16-6-3-4-8-21(16)20)23-14-18-12-17-13-19(25-2)10-11-22(17)24-18;/h3-13,15,23-24H,14H2,1-2H3;1H

>  <InChI Key>
UUEDHEQSLQRGFJ-UHFFFAOYSA-N

