
 CHEMBL348656

 65 68  0  0  0  0  0  0  0  0999 V2000
    6.2159    0.1653   -4.2900 C   0  0  0  0  0
    5.4737   -0.8126   -3.6330 C   0  0  0  0  0
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    3.3589    3.4319    1.8598 C   0  0  0  0  0
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    3.9068    3.8552    6.1781 C   0  0  0  0  0
    4.5559    3.7572    7.4893 N   0  0  0  0  0
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    2.6466    1.4493   14.0052 C   0  0  0  0  0
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    6.9662   -0.1202   -5.0218 H   0  0  0  0  0
    5.6429   -1.8630   -3.8547 H   0  0  0  0  0
    3.9358   -1.2252   -2.1985 H   0  0  0  0  0
    4.8556    2.9396   -2.8896 H   0  0  0  0  0
    6.5600    2.2766   -4.5315 H   0  0  0  0  0
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    2.6343    1.4952    1.3443 H   0  0  0  0  0
    1.8166    2.8376    0.5493 H   0  0  0  0  0
    4.1028    6.2588    3.0854 H   0  0  0  0  0
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    5.4745    5.0447    5.2653 H   0  0  0  0  0
    5.7064    3.3072    5.0907 H   0  0  0  0  0
    3.3667    2.9241    5.9642 H   0  0  0  0  0
    3.1720    4.6702    6.1795 H   0  0  0  0  0
    5.0259    4.6378    7.7004 H   0  0  0  0  0
    3.0844    2.5036    8.3270 H   0  0  0  0  0
    2.8075    4.2405    8.5703 H   0  0  0  0  0
    4.7777    4.3350   10.1103 H   0  0  0  0  0
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    1.1277   -0.3824   -1.9567 H   0  0  0  0  0
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    0.1673    4.2652   -3.3904 H   0  0  0  0  0
    2.3164    3.7571   -2.3225 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
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  2  3  1  0  0  0
  2 34  1  0  0  0
  3  4  2  0  0  0
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  4  5  1  0  0  0
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  5  6  2  0  0  0
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  6 37  1  0  0  0
  7 27  1  0  0  0
  7  8  1  0  0  0
  7 38  1  0  0  0
  8  9  1  0  0  0
  8 39  1  0  0  0
  8 40  1  0  0  0
  9 10  1  0  0  0
  9 41  1  0  0  0
  9 42  1  0  0  0
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 29 30  2  0  0  0
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 32 65  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL348656

>  <PubChem CID>
11235688

>  <Formula>
C27H33N5

>  <Molecular Weight>
427.596000

>  <IUPAC Name>
N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-4-(1H-imidazol-5-yl)butan-1-amine

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC=C(C=C1)C(CCC2=NC=C(N2)CCNCCCCC3=CN=CN3)C4=CC=CC=C4

>  <Isomeric SMILES>
C1=CC=C(C=C1)C(CCC2=NC=C(N2)CCNCCCCC3=CN=CN3)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C27H33N5/c1-3-9-22(10-4-1)26(23-11-5-2-6-12-23)14-15-27-30-20-25(32-27)16-18-28-17-8-7-13-24-19-29-21-31-24/h1-6,9-12,19-21,26,28H,7-8,13-18H2,(H,29,31)(H,30,32)

>  <InChI Key>
DBKIPTDCISZMBW-UHFFFAOYSA-N

