
 CHEMBL333409

 57 62  0  0  0  0  0  0  0  0999 V2000
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    4.3401   -2.0147    2.0228 C   0  0  0  0  0
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   -0.4820    0.2920    3.3397 O   0  0  0  0  0
   -0.0475    2.1695    2.2188 O   0  0  0  0  0
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    0.5826    2.2047    2.9693 H   0  0  0  0  0
  1  2  2  0  0  0
  1 10  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  3  4  2  0  0  0
  3 36  1  0  0  0
  4  5  1  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 16  1  0  0  0
  5 37  1  0  0  0
  6  7  1  0  0  0
  6 31  1  0  0  0
  6 38  1  0  0  0
  7  8  1  0  0  0
  7 17  1  0  0  0
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  8  9  1  0  0  0
  8 11  1  0  0  0
  8 40  1  0  0  0
  9 10  2  0  0  0
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 31 32  2  0  0  0
 33 57  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL333409

>  <PubChem CID>
15297879

>  <Formula>
C28H24N2O3

>  <Molecular Weight>
436.511000

>  <IUPAC Name>


>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC=C2C3C(C(C(C2=C1)C4=CC=CC=C34)C(=O)NCCC5=CNC6=CC=CC=C65)C(=O)O

>  <Isomeric SMILES>
C1=CC=C2C3C(C(C(C2=C1)C4=CC=CC=C34)C(=O)NCCC5=CNC6=CC=CC=C65)C(=O)O

>  <InChI Std. ID>
InChI=1S/C28H24N2O3/c31-27(29-14-13-16-15-30-22-12-6-5-7-17(16)22)25-23-18-8-1-3-10-20(18)24(26(25)28(32)33)21-11-4-2-9-19(21)23/h1-12,15,23-26,30H,13-14H2,(H,29,31)(H,32,33)

>  <InChI Key>
CCEDGPLTQRLYHE-UHFFFAOYSA-N

