
 CHEMBL1809000

 61 66  0  0  0  0  0  0  0  0999 V2000
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   -3.7486   -8.7942    3.5547 C   0  0  0  0  0
    4.7282   -1.1042    0.2828 H   0  0  0  0  0
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    2.8325   -0.6959   -1.2009 H   0  0  0  0  0
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   -0.6323   -7.4228   -0.0362 H   0  0  0  0  0
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  1  6  1  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
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  2 37  1  0  0  0
  3  4  1  0  0  0
  3 38  1  0  0  0
  3 39  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  5 40  1  0  0  0
  5 41  1  0  0  0
  6 42  1  0  0  0
  6 43  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 24  1  0  0  0
  9 44  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1809000

>  <PubChem CID>
56673937

>  <Formula>
C27H28N4O2

>  <Molecular Weight>
440.547000

>  <IUPAC Name>
(6aR,9R)-N-phenyl-9-(piperidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CCN(CC1)C(=O)C2CN(C3CC4=CNC5=CC=CC(=C45)C3=C2)C(=O)NC6=CC=CC=C6

>  <Isomeric SMILES>
C1CCN(CC1)C(=O)[C@H]2CN([C@@H]3CC4=CNC5=CC=CC(=C45)C3=C2)C(=O)NC6=CC=CC=C6

>  <InChI Std. ID>
InChI=1S/C27H28N4O2/c32-26(30-12-5-2-6-13-30)19-14-22-21-10-7-11-23-25(21)18(16-28-23)15-24(22)31(17-19)27(33)29-20-8-3-1-4-9-20/h1,3-4,7-11,14,16,19,24,28H,2,5-6,12-13,15,17H2,(H,29,33)/t19-,24-/m1/s1

>  <InChI Key>
JHJMGOJWLZEDEQ-NTKDMRAZSA-N

