
 CHEMBL345820

 62 65  0  0  0  0  0  0  0  0999 V2000
    8.0086   -2.8601   -4.6555 C   0  0  0  0  0
    6.6105   -2.6971   -4.8836 O   0  0  0  0  0
    5.8071   -3.2938   -3.9399 C   0  0  0  0  0
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    3.9599   -4.4537   -2.1717 C   0  0  0  0  0
    4.0014   -4.8919   -3.4987 C   0  0  0  0  0
    3.1022   -5.8817   -3.9330 C   0  0  0  0  0
    3.1052   -6.3165   -5.2610 C   0  0  0  0  0
    4.0076   -5.7699   -6.1579 C   0  0  0  0  0
    4.9096   -4.7849   -5.7354 C   0  0  0  0  0
    4.9273   -4.3149   -4.4032 C   0  0  0  0  0
    6.5313   -1.6919   -2.0891 C   0  0  0  0  0
    6.8180   -0.7320   -2.7906 O   0  0  0  0  0
    6.9198   -1.7983   -0.7639 N   0  0  0  0  0
    7.6438   -0.7474   -0.0766 C   0  0  0  0  0
    9.1268   -0.7011   -0.4376 C   0  0  0  0  0
    9.8347   -2.0307   -0.1603 C   0  0  0  0  0
   11.2964   -1.9881   -0.6204 C   0  0  0  0  0
   12.0380   -3.2256   -0.3174 N   0  0  0  0  0
   11.4931   -4.4290   -0.9889 C   0  0  0  0  0
   11.6384   -4.4493   -2.5274 C   0  0  0  0  0
   13.0423   -4.2303   -2.9394 N   0  0  0  0  0
   13.7126   -3.1050   -2.2584 C   0  0  0  0  0
   13.4589   -3.0942   -0.7287 C   0  0  0  0  0
   13.7603   -5.3614   -3.3456 C   0  0  0  0  0
   13.4027   -6.1124   -4.5005 C   0  0  0  0  0
   14.1362   -7.2559   -4.8696 C   0  0  0  0  0
   15.2423   -7.6571   -4.1202 C   0  0  0  0  0
   15.6224   -6.9239   -3.0037 C   0  0  0  0  0
   14.8887   -5.7964   -2.6248 C   0  0  0  0  0
   13.7345   -8.2215   -6.2506 Cl  0  0  0  0  0
   12.0993   -5.5695   -5.5283 Cl  0  0  0  0  0
    8.3734   -3.7043   -5.2492 H   0  0  0  0  0
    8.2812   -3.0203   -3.6078 H   0  0  0  0  0
    8.5122   -1.9549   -5.0088 H   0  0  0  0  0
    4.6864   -3.0734   -0.7175 H   0  0  0  0  0
    3.2415   -4.8727   -1.4723 H   0  0  0  0  0
    2.3805   -6.3143   -3.2422 H   0  0  0  0  0
    2.3930   -7.0673   -5.5825 H   0  0  0  0  0
    4.0135   -6.0981   -7.1928 H   0  0  0  0  0
    5.6023   -4.3693   -6.4676 H   0  0  0  0  0
    6.8133   -2.6825   -0.2858 H   0  0  0  0  0
    7.5175   -0.9233    0.9965 H   0  0  0  0  0
    7.1744    0.2123   -0.3200 H   0  0  0  0  0
    9.6060    0.0974    0.1418 H   0  0  0  0  0
    9.2403   -0.4400   -1.4964 H   0  0  0  0  0
    9.3039   -2.8242   -0.6948 H   0  0  0  0  0
    9.7824   -2.2617    0.9106 H   0  0  0  0  0
   11.7851   -1.1570   -0.0952 H   0  0  0  0  0
   11.3274   -1.7451   -1.6885 H   0  0  0  0  0
   10.4451   -4.5902   -0.7167 H   0  0  0  0  0
   12.0191   -5.3029   -0.5810 H   0  0  0  0  0
   11.2377   -5.4038   -2.8863 H   0  0  0  0  0
   11.0194   -3.6619   -2.9736 H   0  0  0  0  0
   14.7902   -3.0891   -2.4609 H   0  0  0  0  0
   13.3230   -2.1766   -2.6928 H   0  0  0  0  0
   14.0102   -3.9241   -0.2694 H   0  0  0  0  0
   13.8917   -2.1848   -0.2937 H   0  0  0  0  0
   15.8156   -8.5350   -4.4079 H   0  0  0  0  0
   16.4888   -7.2282   -2.4209 H   0  0  0  0  0
   15.2131   -5.2691   -1.7324 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3 12  1  0  0  0
  4  5  1  0  0  0
  4 13  1  0  0  0
  5  6  2  0  0  0
  5 37  1  0  0  0
  6  7  1  0  0  0
  6 38  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 39  1  0  0  0
  9 10  2  0  0  0
  9 40  1  0  0  0
 10 11  1  0  0  0
 10 41  1  0  0  0
 11 12  2  0  0  0
 11 42  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  1  0  0  0
 15 43  1  0  0  0
 16 17  1  0  0  0
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 17 18  1  0  0  0
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 18 19  1  0  0  0
 18 48  1  0  0  0
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 19 20  1  0  0  0
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 20 25  1  0  0  0
 20 21  1  0  0  0
 21 22  1  0  0  0
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 22 23  1  0  0  0
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 23 24  1  0  0  0
 23 26  1  0  0  0
 24 25  1  0  0  0
 24 56  1  0  0  0
 24 57  1  0  0  0
 25 58  1  0  0  0
 25 59  1  0  0  0
 26 27  2  0  0  0
 26 31  1  0  0  0
 27 28  1  0  0  0
 27 33  1  0  0  0
 28 29  2  0  0  0
 28 32  1  0  0  0
 29 30  1  0  0  0
 29 60  1  0  0  0
 30 31  2  0  0  0
 30 61  1  0  0  0
 31 62  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL345820

>  <PubChem CID>
10961938

>  <Formula>
C26H29Cl2N3O2

>  <Molecular Weight>
486.437000

>  <IUPAC Name>
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1-methoxynaphthalene-2-carboxamide

>  <XlogP>
6.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=C(C=CC2=CC=CC=C21)C(=O)NCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl

>  <Isomeric SMILES>
COC1=C(C=CC2=CC=CC=C21)C(=O)NCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C26H29Cl2N3O2/c1-33-25-20-8-3-2-7-19(20)11-12-21(25)26(32)29-13-4-5-14-30-15-17-31(18-16-30)23-10-6-9-22(27)24(23)28/h2-3,6-12H,4-5,13-18H2,1H3,(H,29,32)

>  <InChI Key>
JIFZJJHUCHFIGP-UHFFFAOYSA-N

