
 CHEMBL68642

 58 62  0  0  0  0  0  0  0  0999 V2000
    1.3494   -1.0352   -0.2288 C   0  0  0  0  0
    2.6900   -0.4721    0.1063 C   0  0  0  0  0
    3.1068    0.8586    0.1702 C   0  0  0  0  0
    4.5413    0.8296    0.2220 C   0  0  0  0  0
    5.5389    1.8276    0.1525 C   0  0  0  0  0
    6.8897    1.4773    0.2158 C   0  0  0  0  0
    7.2608    0.1486    0.3789 C   0  0  0  0  0
    6.2960   -0.8597    0.4774 C   0  0  0  0  0
    4.9400   -0.5008    0.3810 C   0  0  0  0  0
    3.7853   -1.2623    0.4222 N   0  0  0  0  0
    3.7700   -2.6982    0.7048 C   0  0  0  0  0
    3.8539   -3.0458    2.2199 C   0  0  0  0  0
    2.6396   -2.5388    3.0280 C   0  0  0  0  0
    1.3740   -3.3500    2.7687 C   0  0  0  0  0
    1.6317   -4.8366    2.9674 C   0  0  0  0  0
    2.8475   -5.2977    2.1629 C   0  0  0  0  0
    4.0656   -4.5070    2.4021 N   0  0  0  0  0
    4.6534   -4.8209    3.7075 C   0  0  0  0  0
    2.2976    2.0889    0.0991 C   0  0  0  0  0
    2.7719    3.1197   -0.3689 O   0  0  0  0  0
    0.9226    2.1377    0.7064 C   0  0  0  0  0
    0.6787    1.3680    1.8596 C   0  0  0  0  0
   -0.5691    1.3726    2.4727 C   0  0  0  0  0
   -1.5766    2.1909    1.9765 C   0  0  0  0  0
   -1.3520    3.0231    0.8711 C   0  0  0  0  0
   -2.3788    3.8827    0.4434 C   0  0  0  0  0
   -2.1947    4.7446   -0.6346 C   0  0  0  0  0
   -0.9871    4.7394   -1.3141 C   0  0  0  0  0
    0.0368    3.8768   -0.9115 C   0  0  0  0  0
   -0.0969    3.0077    0.2037 C   0  0  0  0  0
    0.7761   -0.3342   -0.8444 H   0  0  0  0  0
    0.7745   -1.2428    0.6755 H   0  0  0  0  0
    1.4322   -1.9586   -0.8103 H   0  0  0  0  0
    5.2592    2.8699    0.0167 H   0  0  0  0  0
    7.6480    2.2515    0.1305 H   0  0  0  0  0
    8.3159   -0.1105    0.4260 H   0  0  0  0  0
    6.6034   -1.8936    0.6036 H   0  0  0  0  0
    4.6277   -3.1300    0.1732 H   0  0  0  0  0
    2.8806   -3.1313    0.2427 H   0  0  0  0  0
    4.7410   -2.5239    2.6056 H   0  0  0  0  0
    2.4489   -1.4811    2.8226 H   0  0  0  0  0
    2.8727   -2.5896    4.0995 H   0  0  0  0  0
    0.5730   -3.0150    3.4369 H   0  0  0  0  0
    1.0213   -3.1863    1.7462 H   0  0  0  0  0
    1.7791   -5.0464    4.0332 H   0  0  0  0  0
    0.7479   -5.4051    2.6555 H   0  0  0  0  0
    3.0389   -6.3585    2.3663 H   0  0  0  0  0
    2.6040   -5.2553    1.0941 H   0  0  0  0  0
    5.6126   -4.3065    3.8303 H   0  0  0  0  0
    4.8673   -5.8933    3.7824 H   0  0  0  0  0
    4.0097   -4.5469    4.5496 H   0  0  0  0  0
    1.4630    0.7568    2.2992 H   0  0  0  0  0
   -0.7518    0.7530    3.3469 H   0  0  0  0  0
   -2.5423    2.1920    2.4792 H   0  0  0  0  0
   -3.3349    3.9014    0.9627 H   0  0  0  0  0
   -2.9904    5.4198   -0.9376 H   0  0  0  0  0
   -0.8281    5.4108   -2.1542 H   0  0  0  0  0
    0.9620    3.9151   -1.4827 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2 10  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 19  1  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  6  7  2  0  0  0
  6 35  1  0  0  0
  7  8  1  0  0  0
  7 36  1  0  0  0
  8  9  2  0  0  0
  8 37  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 38  1  0  0  0
 11 39  1  0  0  0
 12 17  1  0  0  0
 12 13  1  0  0  0
 12 40  1  0  0  0
 13 14  1  0  0  0
 13 41  1  0  0  0
 13 42  1  0  0  0
 14 15  1  0  0  0
 14 43  1  0  0  0
 14 44  1  0  0  0
 15 16  1  0  0  0
 15 45  1  0  0  0
 15 46  1  0  0  0
 16 17  1  0  0  0
 16 47  1  0  0  0
 16 48  1  0  0  0
 17 18  1  0  0  0
 18 49  1  0  0  0
 18 50  1  0  0  0
 18 51  1  0  0  0
 19 21  1  0  0  0
 19 20  2  0  0  0
 21 22  2  0  0  0
 21 30  1  0  0  0
 22 23  1  0  0  0
 22 52  1  0  0  0
 23 24  2  0  0  0
 23 53  1  0  0  0
 24 25  1  0  0  0
 24 54  1  0  0  0
 25 26  2  0  0  0
 25 30  1  0  0  0
 26 27  1  0  0  0
 26 55  1  0  0  0
 27 28  2  0  0  0
 27 56  1  0  0  0
 28 29  1  0  0  0
 28 57  1  0  0  0
 29 30  2  0  0  0
 29 58  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL68642

>  <PubChem CID>
15015470

>  <Formula>
C27H28N2O

>  <Molecular Weight>
396.534000

>  <IUPAC Name>
[2-methyl-1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-naphthalen-1-ylmethanone

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=C(C2=CC=CC=C2N1CC3CCCCN3C)C(=O)C4=CC=CC5=CC=CC=C54

>  <Isomeric SMILES>
CC1=C(C2=CC=CC=C2N1CC3CCCCN3C)C(=O)C4=CC=CC5=CC=CC=C54

>  <InChI Std. ID>
InChI=1S/C27H28N2O/c1-19-26(27(30)23-15-9-11-20-10-3-4-13-22(20)23)24-14-5-6-16-25(24)29(19)18-21-12-7-8-17-28(21)2/h3-6,9-11,13-16,21H,7-8,12,17-18H2,1-2H3

>  <InChI Key>
AGQTZVREGWVYIE-UHFFFAOYSA-N

