
 CHEMBL125361

 56 59  0  0  0  0  0  0  0  0999 V2000
    2.0920   -1.1867   -1.0065 C   0  0  0  0  0
    2.6678   -0.0686   -1.7190 N   0  0  0  0  0
    3.5769    0.8029   -1.1843 C   0  0  0  0  0
    3.8810    1.7623   -2.1251 C   0  0  0  0  0
    4.8523    2.8746   -1.8835 C   0  0  0  0  0
    5.0987    3.0593   -0.4266 N   0  0  0  0  0
    5.3603    1.7566    0.2410 C   0  0  0  0  0
    4.1443    0.7950    0.1910 C   0  0  0  0  0
    6.2268    3.9788   -0.1935 C   0  0  0  0  0
    5.9484    5.4086   -0.6782 C   0  0  0  0  0
    7.1358    6.3349   -0.4034 C   0  0  0  0  0
    6.8682    7.7401   -0.9463 C   0  0  0  0  0
    8.0914    8.6449   -0.7946 C   0  0  0  0  0
    7.8189   10.0375   -1.3677 C   0  0  0  0  0
    9.0351   10.9246   -1.2820 C   0  0  0  0  0
    9.9694   10.9502   -2.3264 C   0  0  0  0  0
   11.1031   11.7595   -2.2423 C   0  0  0  0  0
   11.3153   12.5468   -1.1114 C   0  0  0  0  0
   10.3958   12.5230   -0.0644 C   0  0  0  0  0
    9.2618   11.7140   -0.1473 C   0  0  0  0  0
    3.1435    1.4466   -3.3001 C   0  0  0  0  0
    3.0482    2.0377   -4.5773 C   0  0  0  0  0
    2.2145    1.4681   -5.5438 C   0  0  0  0  0
    1.4807    0.3227   -5.2550 C   0  0  0  0  0
    1.5563   -0.2835   -3.9967 C   0  0  0  0  0
    2.3945    0.2931   -3.0269 C   0  0  0  0  0
    1.3129   -1.6628   -1.6036 H   0  0  0  0  0
    1.6558   -0.8160   -0.0752 H   0  0  0  0  0
    2.8886   -1.9056   -0.7974 H   0  0  0  0  0
    5.7863    2.6450   -2.4120 H   0  0  0  0  0
    4.4289    3.7920   -2.3061 H   0  0  0  0  0
    6.2306    1.2699   -0.2209 H   0  0  0  0  0
    5.6065    1.9180    1.2979 H   0  0  0  0  0
    4.4611   -0.2117    0.4833 H   0  0  0  0  0
    3.3784    1.1325    0.8993 H   0  0  0  0  0
    7.1404    3.5950   -0.6664 H   0  0  0  0  0
    6.4257    4.0315    0.8849 H   0  0  0  0  0
    5.0520    5.7996   -0.1812 H   0  0  0  0  0
    5.7532    5.4165   -1.7560 H   0  0  0  0  0
    8.0353    5.9234   -0.8770 H   0  0  0  0  0
    7.3297    6.3847    0.6747 H   0  0  0  0  0
    6.0134    8.1805   -0.4184 H   0  0  0  0  0
    6.5948    7.6775   -2.0069 H   0  0  0  0  0
    8.9471    8.1911   -1.3105 H   0  0  0  0  0
    8.3655    8.7221    0.2650 H   0  0  0  0  0
    6.9839   10.5090   -0.8343 H   0  0  0  0  0
    7.5012    9.9606   -2.4154 H   0  0  0  0  0
    9.8182   10.3381   -3.2133 H   0  0  0  0  0
   11.8206   11.7751   -3.0576 H   0  0  0  0  0
   12.1982   13.1771   -1.0462 H   0  0  0  0  0
   10.5624   13.1344    0.8182 H   0  0  0  0  0
    8.5548   11.7024    0.6787 H   0  0  0  0  0
    3.6167    2.9329   -4.8110 H   0  0  0  0  0
    2.1411    1.9264   -6.5269 H   0  0  0  0  0
    0.8368   -0.1081   -6.0178 H   0  0  0  0  0
    0.9763   -1.1761   -3.7908 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2 26  1  0  0  0
  2  3  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4 21  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  7 33  1  0  0  0
  8 34  1  0  0  0
  8 35  1  0  0  0
  9 10  1  0  0  0
  9 36  1  0  0  0
  9 37  1  0  0  0
 10 11  1  0  0  0
 10 38  1  0  0  0
 10 39  1  0  0  0
 11 12  1  0  0  0
 11 40  1  0  0  0
 11 41  1  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  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
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 17 18  2  0  0  0
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 25 56  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL125361

>  <PubChem CID>
44351101

>  <Formula>
C24H30N2

>  <Molecular Weight>
346.518000

>  <IUPAC Name>
5-methyl-2-(6-phenylhexyl)-3,4-dihydro-1H-pyrido[4,3-b]indole

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CN1C2=C(CN(CC2)CCCCCCC3=CC=CC=C3)C4=CC=CC=C41

>  <Isomeric SMILES>
CN1C2=C(CN(CC2)CCCCCCC3=CC=CC=C3)C4=CC=CC=C41

>  <InChI Std. ID>
InChI=1S/C24H30N2/c1-25-23-15-9-8-14-21(23)22-19-26(18-16-24(22)25)17-10-3-2-5-11-20-12-6-4-7-13-20/h4,6-9,12-15H,2-3,5,10-11,16-19H2,1H3

>  <InChI Key>
OEFBIQFHDCQKBI-UHFFFAOYSA-N

