
 CHEMBL255523

 55 57  0  0  0  0  0  0  0  0999 V2000
    4.1361   -1.0480    1.8800 C   0  0  0  0  0
    3.6017   -0.7328    0.4869 C   0  0  0  0  0
    4.1297    0.5238   -0.0596 N   0  0  0  0  0
    3.6645    1.7178    0.6861 C   0  0  0  0  0
    4.2175    3.0422    0.0978 C   0  0  0  0  0
    3.8989    3.1599   -1.3471 N   0  0  0  0  0
    4.3082    1.9579   -2.1063 C   0  0  0  0  0
    3.7151    0.6799   -1.4749 C   0  0  0  0  0
    4.3020    4.4097   -1.8740 C   0  0  0  0  0
    3.5175    5.5746   -1.7057 C   0  0  0  0  0
    3.9259    6.8209   -2.2149 C   0  0  0  0  0
    5.1272    6.9415   -2.9100 C   0  0  0  0  0
    5.9141    5.8014   -3.0837 C   0  0  0  0  0
    5.5086    4.5616   -2.5746 C   0  0  0  0  0
    5.6215    8.1431   -3.4608 N   0  0  0  0  0
    5.0302    9.3964   -3.4308 C   0  0  0  0  0
    3.9585    9.6793   -2.9132 O   0  0  0  0  0
    5.8955   10.4349   -4.1357 C   0  0  0  0  0
    5.2543   11.8234   -4.1345 C   0  0  0  0  0
    6.1102   12.8766   -4.8425 C   0  0  0  0  0
    5.4225   14.2417   -4.8960 C   0  0  0  0  0
    6.5744   15.1956   -5.1606 C   0  0  0  0  0
    7.6837   14.6693   -4.2629 C   0  0  0  0  0
    7.4578   13.1594   -4.1620 C   0  0  0  0  0
    1.9809    5.5183   -0.8985 Cl  0  0  0  0  0
    3.8635   -2.0707    2.1615 H   0  0  0  0  0
    3.7178   -0.3773    2.6364 H   0  0  0  0  0
    5.2283   -0.9729    1.9134 H   0  0  0  0  0
    2.5050   -0.7353    0.5011 H   0  0  0  0  0
    3.9158   -1.5577   -0.1658 H   0  0  0  0  0
    3.9960    1.6648    1.7286 H   0  0  0  0  0
    2.5668    1.7563    0.6905 H   0  0  0  0  0
    3.7838    3.8721    0.6674 H   0  0  0  0  0
    5.3055    3.0746    0.2436 H   0  0  0  0  0
    3.9563    2.0352   -3.1421 H   0  0  0  0  0
    5.3995    1.8486   -2.1181 H   0  0  0  0  0
    2.6200    0.7046   -1.5545 H   0  0  0  0  0
    4.0693   -0.1785   -2.0585 H   0  0  0  0  0
    3.2790    7.6783   -2.0572 H   0  0  0  0  0
    6.8609    5.8517   -3.6150 H   0  0  0  0  0
    6.1780    3.7206   -2.7249 H   0  0  0  0  0
    6.5119    8.0781   -3.9384 H   0  0  0  0  0
    6.0584   10.1045   -5.1685 H   0  0  0  0  0
    6.8663   10.4647   -3.6280 H   0  0  0  0  0
    5.0595   12.1361   -3.1006 H   0  0  0  0  0
    4.2758   11.7673   -4.6285 H   0  0  0  0  0
    6.3035   12.5464   -5.8725 H   0  0  0  0  0
    4.9450   14.4820   -3.9383 H   0  0  0  0  0
    4.6605   14.2903   -5.6799 H   0  0  0  0  0
    6.8808   15.1390   -6.2118 H   0  0  0  0  0
    6.3163   16.2345   -4.9360 H   0  0  0  0  0
    8.6766   14.9140   -4.6525 H   0  0  0  0  0
    7.6011   15.1182   -3.2657 H   0  0  0  0  0
    8.2613   12.6106   -4.6661 H   0  0  0  0  0
    7.4648   12.8531   -3.1099 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  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  8  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  5 34  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  1  0  0  0
  7 35  1  0  0  0
  7 36  1  0  0  0
  8 37  1  0  0  0
  8 38  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 25  1  0  0  0
 11 12  2  0  0  0
 11 39  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 40  1  0  0  0
 14 41  1  0  0  0
 15 16  1  0  0  0
 15 42  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 19  1  0  0  0
 18 43  1  0  0  0
 18 44  1  0  0  0
 19 20  1  0  0  0
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 20 24  1  0  0  0
 20 21  1  0  0  0
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 24 55  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL255523

>  <PubChem CID>
24882532

>  <Formula>
C20H30ClN3O

>  <Molecular Weight>
363.930000

>  <IUPAC Name>
N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-3-cyclopentylpropanamide

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)CCC3CCCC3)Cl

>  <Isomeric SMILES>
CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)CCC3CCCC3)Cl

>  <InChI Std. ID>
InChI=1S/C20H30ClN3O/c1-2-23-11-13-24(14-12-23)19-9-8-17(15-18(19)21)22-20(25)10-7-16-5-3-4-6-16/h8-9,15-16H,2-7,10-14H2,1H3,(H,22,25)

>  <InChI Key>
IWSOFJPLHFSLJW-UHFFFAOYSA-N

