
 CHEMBL51855

 61 62  0  0  0  0  0  0  0  0999 V2000
    7.5477    0.7204   -3.6149 C   0  0  0  0  0
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    3.6905   -2.9597    2.0006 N   0  0  0  0  0
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    8.3615    0.1230   -4.0373 H   0  0  0  0  0
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    6.6012    0.2321   -3.8683 H   0  0  0  0  0
    8.6895    1.2831   -1.8907 H   0  0  0  0  0
    7.7002   -0.1598   -1.6636 H   0  0  0  0  0
    6.6394    2.7124   -1.9311 H   0  0  0  0  0
    5.6211    1.3078   -1.8084 H   0  0  0  0  0
    6.1243    1.2208    1.9529 H   0  0  0  0  0
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    4.1519   -2.7914    2.8829 H   0  0  0  0  0
    3.0345   -4.4313    0.6948 H   0  0  0  0  0
    4.2004   -5.1973    3.4188 H   0  0  0  0  0
    4.9775   -5.3350    1.8458 H   0  0  0  0  0
    3.5687   -6.3436    2.2163 H   0  0  0  0  0
    1.2420   -5.3206    2.0994 H   0  0  0  0  0
    1.0428   -3.5993    1.7930 H   0  0  0  0  0
    1.8989   -3.0565    4.0610 H   0  0  0  0  0
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    8.6131    6.5406    3.7043 H   0  0  0  0  0
    8.7081    7.6195    2.2589 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
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
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  4 22  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
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  6  7  2  0  0  0
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  7  8  1  0  0  0
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  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  1  0  0  0
 10 40  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL51855

>  <PubChem CID>
14547302

>  <Formula>
C25H32N2O2

>  <Molecular Weight>
392.543000

>  <IUPAC Name>
(2E,4E)-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]octa-2,4-dienamide

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCC(=CC=CC(=O)NC(C)CCCC1=CN=CC=C1)C2=CC=C(C=C2)OC

>  <Isomeric SMILES>
CCC/C(=C\C=C\C(=O)N[C@H](C)CCCC1=CN=CC=C1)/C2=CC=C(C=C2)OC

>  <InChI Std. ID>
InChI=1S/C25H32N2O2/c1-4-8-22(23-14-16-24(29-3)17-15-23)12-6-13-25(28)27-20(2)9-5-10-21-11-7-18-26-19-21/h6-7,11-20H,4-5,8-10H2,1-3H3,(H,27,28)/b13-6+,22-12+/t20-/m1/s1

>  <InChI Key>
CYUQYVIPUJRDNM-UKEIZMASSA-N

