
 CHEMBL3262432

 67 69  0  0  0  0  0  0  0  0999 V2000
    3.3823    0.4426   -1.7989 C   0  0  0  0  0
    2.5920    0.6085   -0.5721 N   0  0  0  0  0
    1.1338    0.4245   -0.6853 C   0  0  0  0  0
    0.2141    0.6659    0.3830 C   0  0  0  0  0
   -1.1679    0.4687    0.2124 C   0  0  0  0  0
   -1.6703    0.0414   -1.0110 C   0  0  0  0  0
   -0.8085   -0.1891   -2.0732 C   0  0  0  0  0
    0.5662   -0.0018   -1.9225 C   0  0  0  0  0
   -2.0238    0.6929    1.2311 O   0  0  0  0  0
    3.2506    0.8806    0.6274 C   0  0  0  0  0
    2.6439    0.9008    1.6826 O   0  0  0  0  0
    4.7531    1.1186    0.7238 C   0  0  0  0  0
    5.1768    2.4810    0.1434 C   0  0  0  0  0
    6.6967    2.6839    0.2726 C   0  0  0  0  0
    7.1104    4.0768   -0.2205 C   0  0  0  0  0
    8.6369    4.2877   -0.1395 C   0  0  0  0  0
    9.0271    5.6748   -0.4850 N   0  0  0  0  0
    8.7838    5.9907   -1.9123 C   0  0  0  0  0
    9.1098    7.4587   -2.1845 C   0  0  0  0  0
   10.4905    7.7101   -1.7982 N   0  0  0  0  0
   10.8098    7.3918   -0.4130 C   0  0  0  0  0
   10.4524    5.9168   -0.1477 C   0  0  0  0  0
   11.4097    8.3542   -2.7182 C   0  0  0  0  0
   10.8828    9.3423   -3.5847 C   0  0  0  0  0
   11.6869   10.0446   -4.4726 C   0  0  0  0  0
   13.0466    9.7978   -4.5331 C   0  0  0  0  0
   13.6258    8.8267   -3.7120 C   0  0  0  0  0
   15.0064    8.5931   -3.8096 C   0  0  0  0  0
   15.6118    7.6156   -3.0286 C   0  0  0  0  0
   14.8457    6.8489   -2.1573 C   0  0  0  0  0
   13.4687    7.0632   -2.0439 C   0  0  0  0  0
   12.8235    8.0754   -2.7967 C   0  0  0  0  0
   -2.0492    2.2570    4.7636 Cl  0  0  0  0  0
    4.4715    0.5519   -1.6887 H   0  0  0  0  0
    3.0607    1.1850   -2.5600 H   0  0  0  0  0
    3.2524   -0.5885   -2.1902 H   0  0  0  0  0
    0.5081    1.0136    1.3496 H   0  0  0  0  0
   -2.7356   -0.1086   -1.1403 H   0  0  0  0  0
   -1.2067   -0.5167   -3.0249 H   0  0  0  0  0
    1.1729   -0.1997   -2.7914 H   0  0  0  0  0
   -1.7175    0.9826    2.1015 H   0  0  0  0  0
    5.3112    0.2685    0.2786 H   0  0  0  0  0
    5.0377    1.1410    1.7999 H   0  0  0  0  0
    4.6473    3.2816    0.7055 H   0  0  0  0  0
    4.8944    2.5764   -0.9246 H   0  0  0  0  0
    7.2169    1.9058   -0.3285 H   0  0  0  0  0
    6.9994    2.5755    1.3373 H   0  0  0  0  0
    6.6068    4.8439    0.4080 H   0  0  0  0  0
    6.7612    4.1804   -1.2667 H   0  0  0  0  0
    9.1620    3.5547   -0.7931 H   0  0  0  0  0
    8.9362    4.0850    0.9134 H   0  0  0  0  0
    7.7182    5.8574   -2.1801 H   0  0  0  0  0
    9.4037    5.3377   -2.5679 H   0  0  0  0  0
    8.9152    7.6597   -3.2576 H   0  0  0  0  0
    8.4353    8.0969   -1.5706 H   0  0  0  0  0
   11.8417    7.6598   -0.1194 H   0  0  0  0  0
   10.1626    8.0114    0.2458 H   0  0  0  0  0
   11.1059    5.2450   -0.7472 H   0  0  0  0  0
   10.6340    5.7064    0.9292 H   0  0  0  0  0
    9.8336    9.6005   -3.5568 H   0  0  0  0  0
   11.2477   10.7979   -5.1147 H   0  0  0  0  0
   13.6527   10.3629   -5.2319 H   0  0  0  0  0
   15.6148    9.1680   -4.4985 H   0  0  0  0  0
   16.6770    7.4416   -3.1111 H   0  0  0  0  0
   15.3211    6.0754   -1.5678 H   0  0  0  0  0
   12.9389    6.4126   -1.3813 H   0  0  0  0  0
   -0.8326    2.8687    4.5693 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 10  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 37  1  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  6  7  1  0  0  0
  6 38  1  0  0  0
  7  8  2  0  0  0
  7 39  1  0  0  0
  8 40  1  0  0  0
  9 41  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 12 42  1  0  0  0
 12 43  1  0  0  0
 13 14  1  0  0  0
 13 44  1  0  0  0
 13 45  1  0  0  0
 14 15  1  0  0  0
 14 46  1  0  0  0
 14 47  1  0  0  0
 15 16  1  0  0  0
 15 48  1  0  0  0
 15 49  1  0  0  0
 16 17  1  0  0  0
 16 50  1  0  0  0
 16 51  1  0  0  0
 17 22  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 18 52  1  0  0  0
 18 53  1  0  0  0
 19 20  1  0  0  0
 19 54  1  0  0  0
 19 55  1  0  0  0
 20 21  1  0  0  0
 20 23  1  0  0  0
 21 22  1  0  0  0
 21 56  1  0  0  0
 21 57  1  0  0  0
 22 58  1  0  0  0
 22 59  1  0  0  0
 23 24  2  0  0  0
 23 32  1  0  0  0
 24 25  1  0  0  0
 24 60  1  0  0  0
 25 26  2  0  0  0
 25 61  1  0  0  0
 26 27  1  0  0  0
 26 62  1  0  0  0
 27 28  2  0  0  0
 27 32  1  0  0  0
 28 29  1  0  0  0
 28 63  1  0  0  0
 29 30  2  0  0  0
 29 64  1  0  0  0
 30 31  1  0  0  0
 30 65  1  0  0  0
 31 32  2  0  0  0
 31 66  1  0  0  0
 33 67  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3262432

>  <PubChem CID>
90656692

>  <Formula>
C27H34ClN3O2

>  <Molecular Weight>
468.038000

>  <IUPAC Name>
N-(3-hydroxyphenyl)-N-methyl-6-(4-naphthalen-1-ylpiperazin-1-yl)hexanamide;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN(C1=CC(=CC=C1)O)C(=O)CCCCCN2CCN(CC2)C3=CC=CC4=CC=CC=C43.Cl

>  <Isomeric SMILES>
CN(C1=CC(=CC=C1)O)C(=O)CCCCCN2CCN(CC2)C3=CC=CC4=CC=CC=C43.Cl

>  <InChI Std. ID>
InChI=1S/C27H33N3O2.ClH/c1-28(23-11-8-12-24(31)21-23)27(32)15-3-2-6-16-29-17-19-30(20-18-29)26-14-7-10-22-9-4-5-13-25(22)26;/h4-5,7-14,21,31H,2-3,6,15-20H2,1H3;1H

>  <InChI Key>
QDZASJHLCZFYMF-UHFFFAOYSA-N

