
 CHEMBL438672

 51 53  0  0  0  0  0  0  0  0999 V2000
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    6.7571   -1.8687   -0.2751 C   0  0  0  0  0
    7.6909   -2.6491   -0.0519 O   0  0  0  0  0
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    6.2710    1.3713    2.8208 N   0  0  0  0  0
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    6.3621    0.1405   -1.0401 H   0  0  0  0  0
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    4.8964    1.1015    1.2213 H   0  0  0  0  0
    5.6736    1.8708    3.4645 H   0  0  0  0  0
    7.9996    1.8868    5.0329 H   0  0  0  0  0
   10.3683    1.1264    4.9892 H   0  0  0  0  0
   11.2560   -0.1048    3.0394 H   0  0  0  0  0
    9.8020   -0.6086    1.0972 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
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  8 33  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL438672

>  <PubChem CID>
10291369

>  <Formula>
C22H25N3O

>  <Molecular Weight>
347.462000

>  <IUPAC Name>
N-(3-aminopropyl)-2-(1H-indol-3-yl)-N-[(E)-3-phenylprop-2-enyl]acetamide

>  <XlogP>
2.900

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1=CC=C(C=C1)C=CCN(CCCN)C(=O)CC2=CNC3=CC=CC=C32

>  <Isomeric SMILES>
C1=CC=C(C=C1)/C=C/CN(CCCN)C(=O)CC2=CNC3=CC=CC=C32

>  <InChI Std. ID>
InChI=1S/C22H25N3O/c23-13-7-15-25(14-6-10-18-8-2-1-3-9-18)22(26)16-19-17-24-21-12-5-4-11-20(19)21/h1-6,8-12,17,24H,7,13-16,23H2/b10-6+

>  <InChI Key>
BULJTYRRPRXFMJ-UXBLZVDNSA-N

