
 CHEMBL2153446

 55 58  0  0  0  0  0  0  0  0999 V2000
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    5.4647   -4.8129    2.7040 C   0  0  0  0  0
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    7.2391   -6.5225    2.7972 C   0  0  0  0  0
    6.4204   -5.6406    2.0770 C   0  0  0  0  0
    6.0278   -5.9231    6.5395 Cl  0  0  0  0  0
    3.1725    0.4811   -0.1501 N   0  0  0  0  0
    3.3323    1.2359    0.9893 C   0  0  0  0  0
    2.8273    0.9770    2.0757 O   0  0  0  0  0
    4.1507    2.4923    0.7834 C   0  0  0  0  0
    3.2603    3.7353    0.8241 C   0  0  0  0  0
    2.1416    3.7552   -0.2244 C   0  0  0  0  0
    2.6704    3.7441   -1.6365 C   0  0  0  0  0
    2.9068    2.5262   -2.1877 N   0  0  0  0  0
    3.4056    2.4479   -3.4213 C   0  0  0  0  0
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    3.6271    1.2328   -3.9203 N   0  0  0  0  0
    3.4632    4.8607   -3.5803 C   0  0  0  0  0
    2.9423    4.9309   -2.2996 C   0  0  0  0  0
    1.3092   -0.2286   -2.0138 H   0  0  0  0  0
    1.3362   -1.9640   -1.6540 H   0  0  0  0  0
    2.7814   -1.1520   -2.2862 H   0  0  0  0  0
    1.4401   -0.5102    0.3893 H   0  0  0  0  0
    2.1397   -1.5221    2.4054 H   0  0  0  0  0
    3.3806   -3.1791    3.6082 H   0  0  0  0  0
    5.5487   -4.1407   -0.0151 H   0  0  0  0  0
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    4.6797   -4.3328    4.6810 H   0  0  0  0  0
    7.7554   -7.2963    4.7356 H   0  0  0  0  0
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    6.5627   -5.6218    1.0004 H   0  0  0  0  0
    3.3332    0.9514   -1.0406 H   0  0  0  0  0
    4.7221    2.4397   -0.1490 H   0  0  0  0  0
    4.8916    2.5390    1.5903 H   0  0  0  0  0
    3.8938    4.6235    0.7083 H   0  0  0  0  0
    2.7965    3.8080    1.8160 H   0  0  0  0  0
    1.5229    4.6485   -0.0751 H   0  0  0  0  0
    1.4677    2.9023   -0.0865 H   0  0  0  0  0
    4.4744    4.3503   -6.0470 H   0  0  0  0  0
    4.8639    2.0666   -6.9598 H   0  0  0  0  0
    4.2890    0.1097   -5.5180 H   0  0  0  0  0
    3.6856    5.7779   -4.1208 H   0  0  0  0  0
    2.7586    5.8913   -1.8264 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 33  1  0  0  0
  1 34  1  0  0  0
  2 16  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 36  1  0  0  0
  5  6  2  0  0  0
  5 37  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 38  1  0  0  0
  8 39  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
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 19 20  1  0  0  0
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 31 55  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2153446

>  <PubChem CID>
71460332

>  <Formula>
C26H24ClN3O

>  <Molecular Weight>
429.948000

>  <IUPAC Name>
N-[(1S)-1-[4-(3-chlorophenyl)phenyl]ethyl]-4-(1,8-naphthyridin-2-yl)butanamide

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C1=CC=C(C=C1)C2=CC(=CC=C2)Cl)NC(=O)CCCC3=NC4=C(C=CC=N4)C=C3

>  <Isomeric SMILES>
C[C@@H](C1=CC=C(C=C1)C2=CC(=CC=C2)Cl)NC(=O)CCCC3=NC4=C(C=CC=N4)C=C3

>  <InChI Std. ID>
InChI=1S/C26H24ClN3O/c1-18(19-10-12-20(13-11-19)22-5-2-7-23(27)17-22)29-25(31)9-3-8-24-15-14-21-6-4-16-28-26(21)30-24/h2,4-7,10-18H,3,8-9H2,1H3,(H,29,31)/t18-/m0/s1

>  <InChI Key>
SVOWEHYOENAPDL-SFHVURJKSA-N

