
 CHEMBL3765597

 55 57  0  0  0  0  0  0  0  0999 V2000
    0.1227    1.3267   -0.5771 C   0  0  0  0  0
    1.5789    1.1177   -0.5196 N   0  0  0  0  0
    1.9806   -0.2444   -0.9300 C   0  0  0  0  0
    1.9327   -0.4315   -2.4646 C   0  0  0  0  0
    2.7304    0.5948   -3.1725 N   0  0  0  0  0
    2.2545    1.9404   -2.7801 C   0  0  0  0  0
    2.3342    2.1517   -1.2561 C   0  0  0  0  0
    4.1907    0.3671   -3.0161 C   0  0  0  0  0
    5.0419    1.3206   -3.8731 C   0  0  0  0  0
    6.5358    1.0131   -3.7133 C   0  0  0  0  0
    7.3991    1.9862   -4.5385 C   0  0  0  0  0
    8.8845    1.7294   -4.3922 C   0  0  0  0  0
    9.2240    0.8105   -3.6636 O   0  0  0  0  0
    9.8591    2.4875   -5.0499 N   0  0  0  0  0
   11.2181    2.2917   -4.9543 C   0  0  0  0  0
   11.9418    1.3355   -4.2103 C   0  0  0  0  0
   13.3465    1.3436   -4.2858 C   0  0  0  0  0
   14.0161    2.2860   -5.0893 C   0  0  0  0  0
   13.2875    3.2317   -5.8241 C   0  0  0  0  0
   11.8964    3.2065   -5.7338 C   0  0  0  0  0
   10.9575    4.0000   -6.3316 C   0  0  0  0  0
   11.1215    5.0700   -7.2091 C   0  0  0  0  0
    9.9752    5.7219   -7.6784 C   0  0  0  0  0
    8.7003    5.2953   -7.2644 C   0  0  0  0  0
    8.5552    4.2109   -6.3784 C   0  0  0  0  0
    9.7147    3.5567   -5.9080 C   0  0  0  0  0
   -1.3166    5.0812    0.5059 Cl  0  0  0  0  0
   -0.1293    2.3371   -0.1921 H   0  0  0  0  0
   -0.3914    0.5916    0.0772 H   0  0  0  0  0
   -0.2779    1.2284   -1.6059 H   0  0  0  0  0
    1.3377   -1.0061   -0.4366 H   0  0  0  0  0
    3.0107   -0.4339   -0.5645 H   0  0  0  0  0
    0.8784   -0.3662   -2.8090 H   0  0  0  0  0
    2.2806   -1.4532   -2.7309 H   0  0  0  0  0
    2.8034    2.7399   -3.3109 H   0  0  0  0  0
    1.2019    2.0584   -3.1143 H   0  0  0  0  0
    3.3956    2.1240   -0.9324 H   0  0  0  0  0
    1.9594    3.1660   -0.9969 H   0  0  0  0  0
    4.4225   -0.6701   -3.3470 H   0  0  0  0  0
    4.5065    0.4572   -1.9576 H   0  0  0  0  0
    4.8898    2.3691   -3.5504 H   0  0  0  0  0
    4.7494    1.2180   -4.9408 H   0  0  0  0  0
    6.7338   -0.0309   -4.0415 H   0  0  0  0  0
    6.8092    1.1109   -2.6384 H   0  0  0  0  0
    7.1182    1.8622   -5.6058 H   0  0  0  0  0
    7.1833    3.0146   -4.1768 H   0  0  0  0  0
   11.4761    0.5966   -3.5830 H   0  0  0  0  0
   13.9175    0.6181   -3.7214 H   0  0  0  0  0
   15.0971    2.2805   -5.1392 H   0  0  0  0  0
   13.7970    3.9584   -6.4428 H   0  0  0  0  0
   12.1054    5.3930   -7.5230 H   0  0  0  0  0
   10.0711    6.5568   -8.3606 H   0  0  0  0  0
    7.8203    5.8079   -7.6330 H   0  0  0  0  0
    7.5600    3.9355   -6.1021 H   0  0  0  0  0
    0.0314    4.9589    0.2603 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
  4 34  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  1  0  0  0
  6 35  1  0  0  0
  6 36  1  0  0  0
  7 37  1  0  0  0
  7 38  1  0  0  0
  8  9  1  0  0  0
  8 39  1  0  0  0
  8 40  1  0  0  0
  9 10  1  0  0  0
  9 41  1  0  0  0
  9 42  1  0  0  0
 10 11  1  0  0  0
 10 43  1  0  0  0
 10 44  1  0  0  0
 11 12  1  0  0  0
 11 45  1  0  0  0
 11 46  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  1  0  0  0
 14 26  1  0  0  0
 15 20  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 16 47  1  0  0  0
 17 18  2  0  0  0
 17 48  1  0  0  0
 18 19  1  0  0  0
 18 49  1  0  0  0
 19 20  2  0  0  0
 19 50  1  0  0  0
 20 21  1  0  0  0
 21 26  1  0  0  0
 21 22  2  0  0  0
 22 23  1  0  0  0
 22 51  1  0  0  0
 23 24  2  0  0  0
 23 52  1  0  0  0
 24 25  1  0  0  0
 24 53  1  0  0  0
 25 26  2  0  0  0
 25 54  1  0  0  0
 27 55  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3765597

>  <PubChem CID>
122483255

>  <Formula>
C22H28ClN3O

>  <Molecular Weight>
385.936000

>  <IUPAC Name>
1-carbazol-9-yl-5-(4-methylpiperazin-1-yl)pentan-1-one;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN1CCN(CC1)CCCCC(=O)N2C3=CC=CC=C3C4=CC=CC=C42.Cl

>  <Isomeric SMILES>
CN1CCN(CC1)CCCCC(=O)N2C3=CC=CC=C3C4=CC=CC=C42.Cl

>  <InChI Std. ID>
InChI=1S/C22H27N3O.ClH/c1-23-14-16-24(17-15-23)13-7-6-12-22(26)25-20-10-4-2-8-18(20)19-9-3-5-11-21(19)25;/h2-5,8-11H,6-7,12-17H2,1H3;1H

>  <InChI Key>
AVCASKHKFRXAEH-UHFFFAOYSA-N

