
 CHEMBL3262390

 47 50  0  0  0  0  0  0  0  0999 V2000
    0.8849    0.8689   -0.6940 C   0  0  0  0  0
   -0.3926    1.0446   -1.5512 C   0  0  0  0  0
   -0.7675   -0.1618   -2.3310 N   0  0  0  0  0
   -0.5050   -1.4668   -1.6770 C   0  0  0  0  0
    0.7854   -1.4853   -0.8310 C   0  0  0  0  0
    0.9365   -0.3678    0.1208 N   0  0  0  0  0
   -0.1047   -0.3334    1.1707 C   0  0  0  0  0
   -0.1903   -1.5898    2.0570 C   0  0  0  0  0
   -1.2773   -1.4883    3.0887 C   0  0  0  0  0
   -1.1020   -1.4507    4.4583 C   0  0  0  0  0
   -2.3333   -1.3687    5.0500 N   0  0  0  0  0
   -3.3215   -1.3467    4.0942 C   0  0  0  0  0
   -2.6924   -1.4270    2.8509 C   0  0  0  0  0
   -3.4970   -1.4262    1.6898 C   0  0  0  0  0
   -4.8831   -1.3284    1.8255 C   0  0  0  0  0
   -5.4853   -1.2538    3.0735 C   0  0  0  0  0
   -4.7127   -1.2643    4.2380 C   0  0  0  0  0
   -5.6952   -1.2980    0.7278 O   0  0  0  0  0
   -1.9586   -0.0853   -3.0907 C   0  0  0  0  0
   -2.5030   -1.2138   -3.7341 C   0  0  0  0  0
   -3.6890   -1.1550   -4.4798 C   0  0  0  0  0
   -4.3645    0.0481   -4.6225 C   0  0  0  0  0
   -3.8424    1.1904   -4.0330 C   0  0  0  0  0
   -2.6548    1.1223   -3.2902 C   0  0  0  0  0
    1.7574    0.8755   -1.3614 H   0  0  0  0  0
    1.0105    1.7456   -0.0464 H   0  0  0  0  0
   -0.1993    1.8779   -2.2383 H   0  0  0  0  0
   -1.2211    1.3348   -0.8930 H   0  0  0  0  0
   -1.3573   -1.7416   -1.0445 H   0  0  0  0  0
   -0.3765   -2.2503   -2.4316 H   0  0  0  0  0
    0.8735   -2.4472   -0.3141 H   0  0  0  0  0
    1.6460   -1.4646   -1.5147 H   0  0  0  0  0
   -1.0900   -0.1416    0.7359 H   0  0  0  0  0
    0.1048    0.5226    1.8262 H   0  0  0  0  0
    0.7763   -1.7553    2.5493 H   0  0  0  0  0
   -0.3975   -2.4807    1.4533 H   0  0  0  0  0
   -0.2039   -1.4795    5.0613 H   0  0  0  0  0
   -2.5001   -1.3295    6.0459 H   0  0  0  0  0
   -3.0391   -1.4936    0.7104 H   0  0  0  0  0
   -6.5676   -1.1832    3.1445 H   0  0  0  0  0
   -5.1815   -1.2052    5.2146 H   0  0  0  0  0
   -5.1386   -1.2718   -0.0691 H   0  0  0  0  0
   -2.0098   -2.1793   -3.6895 H   0  0  0  0  0
   -4.0725   -2.0542   -4.9550 H   0  0  0  0  0
   -5.2822    0.0986   -5.2010 H   0  0  0  0  0
   -4.3511    2.1439   -4.1495 H   0  0  0  0  0
   -2.3000    2.0563   -2.8660 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  2 28  1  0  0  0
  3  4  1  0  0  0
  3 19  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 33  1  0  0  0
  7 34  1  0  0  0
  8  9  1  0  0  0
  8 35  1  0  0  0
  8 36  1  0  0  0
  9 13  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 37  1  0  0  0
 11 12  1  0  0  0
 11 38  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 39  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  2  0  0  0
 16 40  1  0  0  0
 17 41  1  0  0  0
 18 42  1  0  0  0
 19 20  2  0  0  0
 19 24  1  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 47  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3262390

>  <PubChem CID>
90656714

>  <Formula>
C20H23N3O

>  <Molecular Weight>
321.424000

>  <IUPAC Name>
3-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-indol-5-ol

>  <XlogP>
2.800

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCN1CCC2=CNC3=C2C=C(C=C3)O)C4=CC=CC=C4

>  <Isomeric SMILES>
C1CN(CCN1CCC2=CNC3=C2C=C(C=C3)O)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C20H23N3O/c24-18-6-7-20-19(14-18)16(15-21-20)8-9-22-10-12-23(13-11-22)17-4-2-1-3-5-17/h1-7,14-15,21,24H,8-13H2

>  <InChI Key>
MRARYZFWVQTTTE-UHFFFAOYSA-N

