
 CHEMBL478438

 56 59  0  0  0  0  0  0  0  0999 V2000
    0.2261    2.9307    0.1541 C   0  0  0  0  0
    0.1395    4.3451    0.2934 O   0  0  0  0  0
    1.3184    5.0368    0.2449 C   0  0  0  0  0
    2.5962    4.4860    0.3689 C   0  0  0  0  0
    3.7660    5.2869    0.2912 C   0  0  0  0  0
    5.0862    4.7726    0.3850 C   0  0  0  0  0
    6.1882    5.6494    0.2980 C   0  0  0  0  0
    6.0377    7.0342    0.1372 C   0  0  0  0  0
    4.7260    7.5239    0.0457 C   0  0  0  0  0
    3.6016    6.6802    0.1099 C   0  0  0  0  0
    2.3124    7.2241    0.0038 C   0  0  0  0  0
    1.1837    6.4092    0.0713 C   0  0  0  0  0
    7.2119    7.9372    0.0777 C   0  0  0  0  0
    8.3551    7.7034    0.8664 C   0  0  0  0  0
    9.4805    8.5440    0.8149 C   0  0  0  0  0
    9.4672    9.6469   -0.0428 C   0  0  0  0  0
    8.3469    9.9063   -0.8266 C   0  0  0  0  0
    7.2363    9.0579   -0.7700 C   0  0  0  0  0
   10.7072    8.2167    1.6224 C   0  0  0  0  0
   11.5720    7.3614    0.8843 O   0  0  0  0  0
    5.3820    3.3045    0.6233 C   0  0  0  0  0
    5.4063    2.9736    2.1183 C   0  0  0  0  0
    5.7490    1.5861    2.3642 N   0  0  0  0  0
    4.8030    0.5810    2.3402 C   0  0  0  0  0
    3.6149    0.8167    2.1026 O   0  0  0  0  0
    5.3771   -0.8351    2.6109 C   0  0  0  0  0
    6.4553   -1.0183    3.7174 C   0  0  0  0  0
    5.8140   -2.3833    4.0261 C   0  0  0  0  0
    4.5049   -1.8145    3.4472 C   0  0  0  0  0
   -0.7948    2.5397    0.0956 H   0  0  0  0  0
    0.7060    2.4761    1.0254 H   0  0  0  0  0
    0.7408    2.6561   -0.7719 H   0  0  0  0  0
    2.6985    3.4196    0.5397 H   0  0  0  0  0
    7.1912    5.2271    0.3527 H   0  0  0  0  0
    4.5667    8.5952   -0.0620 H   0  0  0  0  0
    2.1729    8.2936   -0.1359 H   0  0  0  0  0
    0.1934    6.8482   -0.0172 H   0  0  0  0  0
    8.3776    6.8525    1.5459 H   0  0  0  0  0
   10.3303   10.3056   -0.1078 H   0  0  0  0  0
    8.3372   10.7662   -1.4930 H   0  0  0  0  0
    6.3897    9.2789   -1.4170 H   0  0  0  0  0
   10.4400    7.7172    2.5588 H   0  0  0  0  0
   11.2568    9.1271    1.8822 H   0  0  0  0  0
   11.2412    7.3217   -0.0301 H   0  0  0  0  0
    6.3549    3.0523    0.1792 H   0  0  0  0  0
    4.6690    2.6691    0.0862 H   0  0  0  0  0
    4.4358    3.1874    2.5803 H   0  0  0  0  0
    6.1584    3.5802    2.6358 H   0  0  0  0  0
    6.7226    1.3444    2.4948 H   0  0  0  0  0
    5.6924   -1.2966    1.6630 H   0  0  0  0  0
    6.3840   -0.3026    4.5453 H   0  0  0  0  0
    7.4906   -1.0554    3.3683 H   0  0  0  0  0
    5.7861   -2.6698    5.0798 H   0  0  0  0  0
    6.2333   -3.2101    3.4409 H   0  0  0  0  0
    3.9013   -2.5217    2.8718 H   0  0  0  0  0
    3.8675   -1.3279    4.1942 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  3 12  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 21  1  0  0  0
  7  8  2  0  0  0
  7 34  1  0  0  0
  8  9  1  0  0  0
  8 13  1  0  0  0
  9 10  2  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 36  1  0  0  0
 12 37  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 38  1  0  0  0
 15 16  2  0  0  0
 15 19  1  0  0  0
 16 17  1  0  0  0
 16 39  1  0  0  0
 17 18  2  0  0  0
 17 40  1  0  0  0
 18 41  1  0  0  0
 19 20  1  0  0  0
 19 42  1  0  0  0
 19 43  1  0  0  0
 20 44  1  0  0  0
 21 22  1  0  0  0
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 21 46  1  0  0  0
 22 23  1  0  0  0
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 22 48  1  0  0  0
 23 24  1  0  0  0
 23 49  1  0  0  0
 24 26  1  0  0  0
 24 25  2  0  0  0
 26 29  1  0  0  0
 26 27  1  0  0  0
 26 50  1  0  0  0
 27 28  1  0  0  0
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 29 56  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL478438

>  <PubChem CID>
12985496

>  <Formula>
C25H27NO3

>  <Molecular Weight>
389.495000

>  <IUPAC Name>
N-[2-[3-[3-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]cyclobutanecarboxamide

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
COC1=CC2=C(C=C(C=C2C=C1)C3=CC(=CC=C3)CO)CCNC(=O)C4CCC4

>  <Isomeric SMILES>
COC1=CC2=C(C=C(C=C2C=C1)C3=CC(=CC=C3)CO)CCNC(=O)C4CCC4

>  <InChI Std. ID>
InChI=1S/C25H27NO3/c1-29-23-9-8-20-13-22(19-7-2-4-17(12-19)16-27)14-21(24(20)15-23)10-11-26-25(28)18-5-3-6-18/h2,4,7-9,12-15,18,27H,3,5-6,10-11,16H2,1H3,(H,26,28)

>  <InChI Key>
CIIZALZCWRDKFN-UHFFFAOYSA-N

