
 CHEMBL304961

 66 68  0  0  0  0  0  0  0  0999 V2000
    1.4863   -8.0759   -1.2208 C   0  0  0  0  0
    2.8588   -7.6754   -1.6730 C   0  0  0  0  0
    3.9523   -8.5278   -1.4992 C   0  0  0  0  0
    5.2375   -8.1166   -1.8711 C   0  0  0  0  0
    5.4558   -6.8400   -2.4036 C   0  0  0  0  0
    4.3603   -5.9968   -2.5897 C   0  0  0  0  0
    3.0737   -6.4088   -2.2240 C   0  0  0  0  0
    6.7870   -6.4839   -2.7106 N   0  0  0  0  0
    7.2464   -5.2487   -3.1324 C   0  0  0  0  0
    6.5776   -4.2324   -3.2913 O   0  0  0  0  0
    8.7476   -5.2178   -3.3582 C   0  0  0  0  0
    9.4476   -4.5005   -2.2059 C   0  0  0  0  0
   10.9539   -4.3970   -2.4518 C   0  0  0  0  0
   11.6572   -3.6204   -1.3311 C   0  0  0  0  0
   13.1788   -3.5051   -1.5536 C   0  0  0  0  0
   13.8097   -2.5295   -0.5565 C   0  0  0  0  0
   13.8506   -4.8103   -1.5942 N   0  0  0  0  0
   13.9263   -5.5350   -0.3153 C   0  0  0  0  0
   14.7291   -6.8439   -0.4822 C   0  0  0  0  0
   14.0122   -7.8300   -1.4193 C   0  0  0  0  0
   14.7199   -9.0776   -1.4813 O   0  0  0  0  0
   15.6128   -9.2747   -2.5084 C   0  0  0  0  0
   15.4485   -8.7356   -3.7882 C   0  0  0  0  0
   16.4088   -8.9549   -4.7735 C   0  0  0  0  0
   17.5304   -9.7304   -4.4967 C   0  0  0  0  0
   17.7019  -10.3158   -3.2350 C   0  0  0  0  0
   18.8254  -11.1145   -2.9699 C   0  0  0  0  0
   19.0031  -11.7122   -1.7210 C   0  0  0  0  0
   18.0577  -11.5150   -0.7233 C   0  0  0  0  0
   16.9377  -10.7172   -0.9700 C   0  0  0  0  0
   16.7320  -10.0996   -2.2244 C   0  0  0  0  0
   16.0373   -6.5055   -0.9725 O   0  0  0  0  0
    1.4090   -9.1607   -1.0945 H   0  0  0  0  0
    0.7343   -7.7764   -1.9581 H   0  0  0  0  0
    1.2567   -7.5983   -0.2627 H   0  0  0  0  0
    3.8149   -9.5154   -1.0649 H   0  0  0  0  0
    6.0639   -8.8052   -1.7174 H   0  0  0  0  0
    4.4689   -5.0048   -3.0165 H   0  0  0  0  0
    2.2412   -5.7230   -2.3673 H   0  0  0  0  0
    7.4800   -7.2054   -2.5608 H   0  0  0  0  0
    8.9271   -4.6988   -4.3072 H   0  0  0  0  0
    9.1429   -6.2332   -3.4742 H   0  0  0  0  0
    9.2600   -5.0363   -1.2672 H   0  0  0  0  0
    9.0231   -3.4961   -2.0832 H   0  0  0  0  0
   11.1332   -3.8893   -3.4078 H   0  0  0  0  0
   11.3733   -5.4059   -2.5377 H   0  0  0  0  0
   11.4429   -4.0871   -0.3624 H   0  0  0  0  0
   11.2288   -2.6105   -1.2861 H   0  0  0  0  0
   13.3219   -3.0647   -2.5494 H   0  0  0  0  0
   13.6159   -2.8183    0.4814 H   0  0  0  0  0
   13.4000   -1.5232   -0.6986 H   0  0  0  0  0
   14.8936   -2.4646   -0.7021 H   0  0  0  0  0
   14.8188   -4.6863   -1.9112 H   0  0  0  0  0
   12.9267   -5.7678    0.0647 H   0  0  0  0  0
   14.4486   -4.9219    0.4268 H   0  0  0  0  0
   14.8741   -7.3106    0.4990 H   0  0  0  0  0
   13.8285   -7.3876   -2.3990 H   0  0  0  0  0
   13.0266   -8.0622   -0.9986 H   0  0  0  0  0
   14.5767   -8.1539   -4.0628 H   0  0  0  0  0
   16.2780   -8.5219   -5.7623 H   0  0  0  0  0
   18.2671   -9.8854   -5.2819 H   0  0  0  0  0
   19.5755  -11.2828   -3.7406 H   0  0  0  0  0
   19.8760  -12.3307   -1.5347 H   0  0  0  0  0
   18.1871  -11.9836    0.2489 H   0  0  0  0  0
   16.2099  -10.5848   -0.1719 H   0  0  0  0  0
   16.5072   -7.3478   -1.1143 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 36  1  0  0  0
  4  5  2  0  0  0
  4 37  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 38  1  0  0  0
  7 39  1  0  0  0
  8  9  1  0  0  0
  8 40  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  1  0  0  0
 11 41  1  0  0  0
 11 42  1  0  0  0
 12 13  1  0  0  0
 12 43  1  0  0  0
 12 44  1  0  0  0
 13 14  1  0  0  0
 13 45  1  0  0  0
 13 46  1  0  0  0
 14 15  1  0  0  0
 14 47  1  0  0  0
 14 48  1  0  0  0
 15 17  1  0  0  0
 15 16  1  0  0  0
 15 49  1  0  0  0
 16 50  1  0  0  0
 16 51  1  0  0  0
 16 52  1  0  0  0
 17 18  1  0  0  0
 17 53  1  0  0  0
 18 19  1  0  0  0
 18 54  1  0  0  0
 18 55  1  0  0  0
 19 32  1  0  0  0
 19 20  1  0  0  0
 19 56  1  0  0  0
 20 21  1  0  0  0
 20 57  1  0  0  0
 20 58  1  0  0  0
 21 22  1  0  0  0
 22 23  2  0  0  0
 22 31  1  0  0  0
 23 24  1  0  0  0
 23 59  1  0  0  0
 24 25  2  0  0  0
 24 60  1  0  0  0
 25 26  1  0  0  0
 25 61  1  0  0  0
 26 27  2  0  0  0
 26 31  1  0  0  0
 27 28  1  0  0  0
 27 62  1  0  0  0
 28 29  2  0  0  0
 28 63  1  0  0  0
 29 30  1  0  0  0
 29 64  1  0  0  0
 30 31  2  0  0  0
 30 65  1  0  0  0
 32 66  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL304961

>  <PubChem CID>
14485419

>  <Formula>
C27H34N2O3

>  <Molecular Weight>
434.580000

>  <IUPAC Name>
6-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-N-(4-methylphenyl)heptanamide

>  <XlogP>
4.900

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC=C(C=C1)NC(=O)CCCCC(C)NCC(COC2=CC=CC3=CC=CC=C32)O

>  <Isomeric SMILES>
CC1=CC=C(C=C1)NC(=O)CCCCC(C)NCC(COC2=CC=CC3=CC=CC=C32)O

>  <InChI Std. ID>
InChI=1S/C27H34N2O3/c1-20-14-16-23(17-15-20)29-27(31)13-6-3-8-21(2)28-18-24(30)19-32-26-12-7-10-22-9-4-5-11-25(22)26/h4-5,7,9-12,14-17,21,24,28,30H,3,6,8,13,18-19H2,1-2H3,(H,29,31)

>  <InChI Key>
GYGLUIKOLCBIDX-UHFFFAOYSA-N

