
 CHEMBL340511

 54 58  0  0  0  0  0  0  0  0999 V2000
    0.8369   -0.1497   -0.0553 C   0  0  0  0  0
    2.2826   -0.1581   -0.0474 N   0  0  0  0  0
    3.0645    0.9639   -0.0136 C   0  0  0  0  0
    4.3900    0.5863   -0.0152 C   0  0  0  0  0
    5.5259    1.5598    0.0621 C   0  0  0  0  0
    5.0747    2.9366   -0.2866 N   0  0  0  0  0
    3.8069    3.2811    0.4131 C   0  0  0  0  0
    2.6159    2.3812   -0.0028 C   0  0  0  0  0
    6.1068    3.9356    0.0408 C   0  0  0  0  0
    7.4438    3.7631   -0.6872 C   0  0  0  0  0
    7.3103    3.7756   -2.2066 C   0  0  0  0  0
    8.6038    3.5894   -2.7915 O   0  0  0  0  0
    9.1859    4.6606   -3.4075 C   0  0  0  0  0
   10.1009    4.3350   -4.4123 C   0  0  0  0  0
   10.7802    5.3319   -5.1305 C   0  0  0  0  0
   11.6863    5.0091   -6.1540 C   0  0  0  0  0
   12.3486    6.0122   -6.8627 C   0  0  0  0  0
   12.1148    7.3494   -6.5561 C   0  0  0  0  0
   11.2197    7.6863   -5.5388 C   0  0  0  0  0
   10.5445    6.6883   -4.8164 C   0  0  0  0  0
    9.6435    7.0041   -3.7862 C   0  0  0  0  0
    8.9738    5.9970   -3.0815 C   0  0  0  0  0
    4.4187   -0.8367   -0.0513 C   0  0  0  0  0
    5.4582   -1.7897   -0.0677 C   0  0  0  0  0
    5.1487   -3.1530   -0.0868 C   0  0  0  0  0
    3.8239   -3.5758   -0.0853 C   0  0  0  0  0
    2.7736   -2.6525   -0.0708 C   0  0  0  0  0
    3.0890   -1.2826   -0.0580 C   0  0  0  0  0
    0.4495   -1.1438   -0.2833 H   0  0  0  0  0
    0.4955    0.5512   -0.8216 H   0  0  0  0  0
    0.4937    0.1664    0.9332 H   0  0  0  0  0
    5.9394    1.5319    1.0782 H   0  0  0  0  0
    6.3051    1.2402   -0.6385 H   0  0  0  0  0
    3.9526    3.2123    1.5002 H   0  0  0  0  0
    3.5268    4.3186    0.1917 H   0  0  0  0  0
    1.7834    2.5299    0.6929 H   0  0  0  0  0
    2.2764    2.6599   -1.0075 H   0  0  0  0  0
    6.2976    3.9429    1.1223 H   0  0  0  0  0
    5.7250    4.9329   -0.2147 H   0  0  0  0  0
    7.9472    2.8423   -0.3681 H   0  0  0  0  0
    8.1179    4.5720   -0.3781 H   0  0  0  0  0
    6.7957    4.6724   -2.5702 H   0  0  0  0  0
    6.7054    2.9230   -2.5340 H   0  0  0  0  0
   10.2723    3.2853   -4.6406 H   0  0  0  0  0
   11.8798    3.9691   -6.4074 H   0  0  0  0  0
   13.0455    5.7478   -7.6537 H   0  0  0  0  0
   12.6291    8.1317   -7.1080 H   0  0  0  0  0
   11.0513    8.7369   -5.3136 H   0  0  0  0  0
    9.4593    8.0428   -3.5201 H   0  0  0  0  0
    8.3072    6.2864   -2.2764 H   0  0  0  0  0
    6.4958   -1.4698   -0.0686 H   0  0  0  0  0
    5.9513   -3.8856   -0.1022 H   0  0  0  0  0
    3.5997   -4.6398   -0.0972 H   0  0  0  0  0
    1.7464   -3.0009   -0.0694 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2 28  1  0  0  0
  2  3  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4 23  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  5 33  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  1  0  0  0
  7 34  1  0  0  0
  7 35  1  0  0  0
  8 36  1  0  0  0
  8 37  1  0  0  0
  9 10  1  0  0  0
  9 38  1  0  0  0
  9 39  1  0  0  0
 10 11  1  0  0  0
 10 40  1  0  0  0
 10 41  1  0  0  0
 11 12  1  0  0  0
 11 42  1  0  0  0
 11 43  1  0  0  0
 12 13  1  0  0  0
 13 22  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 44  1  0  0  0
 15 20  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 16 45  1  0  0  0
 17 18  2  0  0  0
 17 46  1  0  0  0
 18 19  1  0  0  0
 18 47  1  0  0  0
 19 20  2  0  0  0
 19 48  1  0  0  0
 20 21  1  0  0  0
 21 22  2  0  0  0
 21 49  1  0  0  0
 22 50  1  0  0  0
 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
 24 51  1  0  0  0
 25 26  2  0  0  0
 25 52  1  0  0  0
 26 27  1  0  0  0
 26 53  1  0  0  0
 27 28  2  0  0  0
 27 54  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL340511

>  <PubChem CID>
44350897

>  <Formula>
C25H26N2O

>  <Molecular Weight>
370.496000

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

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN1C2=C(CN(CC2)CCCOC3=CC4=CC=CC=C4C=C3)C5=CC=CC=C51

>  <Isomeric SMILES>
CN1C2=C(CN(CC2)CCCOC3=CC4=CC=CC=C4C=C3)C5=CC=CC=C51

>  <InChI Std. ID>
InChI=1S/C25H26N2O/c1-26-24-10-5-4-9-22(24)23-18-27(15-13-25(23)26)14-6-16-28-21-12-11-19-7-2-3-8-20(19)17-21/h2-5,7-12,17H,6,13-16,18H2,1H3

>  <InChI Key>
LDJTXQYJKDLGCG-UHFFFAOYSA-N

