
 CHEMBL514280

 56 59  0  0  0  0  0  0  0  0999 V2000
    3.3328   -1.1000    0.8999 C   0  0  0  0  0
    2.6095    0.1149    0.7439 O   0  0  0  0  0
    3.3441    1.2465    0.5231 C   0  0  0  0  0
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    3.2238    3.6794    0.3283 C   0  0  0  0  0
    4.6137    3.7384    0.1505 C   0  0  0  0  0
    5.3619    5.0477    0.0497 C   0  0  0  0  0
    4.4900    6.3249   -0.0218 C   0  0  0  0  0
    3.2043    6.1302    0.8034 C   0  0  0  0  0
    2.3737    4.9334    0.3119 C   0  0  0  0  0
    1.7522    5.1222   -1.0892 C   0  0  0  0  0
    0.7809    6.2994   -1.1623 C   0  0  0  0  0
    0.2073    6.4475   -2.4847 N   0  0  0  0  0
   -0.8192    5.6397   -2.9367 C   0  0  0  0  0
   -1.2841    4.7358   -2.2426 O   0  0  0  0  0
   -1.3077    6.0041   -4.3669 C   0  0  0  0  0
   -1.9557    4.8807   -5.2211 C   0  0  0  0  0
   -2.9507    5.9344   -5.7433 C   0  0  0  0  0
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    5.3053    7.5667    0.3414 C   0  0  0  0  0
    4.9650    8.4251    1.3998 C   0  0  0  0  0
    5.7345    9.5561    1.6874 C   0  0  0  0  0
    6.8621    9.8481    0.9282 C   0  0  0  0  0
    7.2185    9.0129   -0.1265 C   0  0  0  0  0
    6.4428    7.8886   -0.4207 C   0  0  0  0  0
    5.3473    2.5418    0.1352 C   0  0  0  0  0
    4.7195    1.3053    0.3169 C   0  0  0  0  0
    2.6165   -1.8840    1.1609 H   0  0  0  0  0
    4.0597   -1.0306    1.7165 H   0  0  0  0  0
    3.8176   -1.3876   -0.0381 H   0  0  0  0  0
    1.5261    2.3756    0.6550 H   0  0  0  0  0
    6.0216    5.1088    0.9247 H   0  0  0  0  0
    6.0059    5.0082   -0.8370 H   0  0  0  0  0
    4.1857    6.4744   -1.0668 H   0  0  0  0  0
    2.5908    7.0371    0.7880 H   0  0  0  0  0
    3.4722    5.9626    1.8571 H   0  0  0  0  0
    1.5555    4.8005    1.0336 H   0  0  0  0  0
    1.2166    4.2051   -1.3694 H   0  0  0  0  0
    2.5312    5.2392   -1.8532 H   0  0  0  0  0
    1.2851    7.2447   -0.9455 H   0  0  0  0  0
   -0.0326    6.1685   -0.4408 H   0  0  0  0  0
    0.5623    7.1780   -3.0875 H   0  0  0  0  0
   -0.5308    6.5279   -4.9457 H   0  0  0  0  0
   -2.4282    4.0797   -4.6407 H   0  0  0  0  0
   -1.3096    4.4324   -5.9806 H   0  0  0  0  0
   -2.6206    6.4376   -6.6585 H   0  0  0  0  0
   -3.9799    5.5924   -5.8735 H   0  0  0  0  0
   -2.6158    7.8231   -4.5889 H   0  0  0  0  0
   -3.3607    6.5133   -3.6388 H   0  0  0  0  0
    4.0978    8.2369    2.0269 H   0  0  0  0  0
    5.4500   10.2079    2.5099 H   0  0  0  0  0
    7.4620   10.7244    1.1561 H   0  0  0  0  0
    8.0987    9.2358   -0.7219 H   0  0  0  0  0
    6.7407    7.2586   -1.2583 H   0  0  0  0  0
    6.4276    2.5682   -0.0052 H   0  0  0  0  0
    5.3343    0.4125    0.3003 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6 26  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  7 33  1  0  0  0
  8  9  1  0  0  0
  8 20  1  0  0  0
  8 34  1  0  0  0
  9 10  1  0  0  0
  9 35  1  0  0  0
  9 36  1  0  0  0
 10 11  1  0  0  0
 10 37  1  0  0  0
 11 12  1  0  0  0
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 14 16  1  0  0  0
 14 15  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL514280

>  <PubChem CID>
10044270

>  <Formula>
C24H29NO2

>  <Molecular Weight>
363.501000

>  <IUPAC Name>
N-[2-[(1R,3R)-7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]cyclobutanecarboxamide

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
COC1=CC2=C(CC(CC2CCNC(=O)C3CCC3)C4=CC=CC=C4)C=C1

>  <Isomeric SMILES>
COC1=CC2=C(C[C@@H](C[C@@H]2CCNC(=O)C3CCC3)C4=CC=CC=C4)C=C1

>  <InChI Std. ID>
InChI=1S/C24H29NO2/c1-27-22-11-10-19-14-21(17-6-3-2-4-7-17)15-20(23(19)16-22)12-13-25-24(26)18-8-5-9-18/h2-4,6-7,10-11,16,18,20-21H,5,8-9,12-15H2,1H3,(H,25,26)/t20-,21-/m0/s1

>  <InChI Key>
CHNMYFQAXCNAFN-SFTDATJTSA-N

