
 CHEMBL97518

 56 59  0  0  0  0  0  0  0  0999 V2000
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   -0.2734    4.3859    3.3161 H   0  0  0  0  0
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   -8.0371    7.7738    1.9553 H   0  0  0  0  0
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   -0.0344    1.7626   -1.9399 H   0  0  0  0  0
    1.2555    1.6399    0.5525 H   0  0  0  0  0
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  2  3  1  0  0  0
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  3 26  1  0  0  0
  3  5  1  0  0  0
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  4 33  1  0  0  0
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  5  6  1  0  0  0
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  5 37  1  0  0  0
  6  7  1  0  0  0
  6 38  1  0  0  0
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  7  8  2  0  0  0
  9 10  1  0  0  0
  9 24  1  0  0  0
  9 39  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL97518

>  <PubChem CID>
44327952

>  <Formula>
C22H29N3O2

>  <Molecular Weight>
367.493000

>  <IUPAC Name>
(6aR,9R)-N-[(2R)-2-(hydroxymethyl)-2-methylbutyl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

>  <XlogP>
2.900

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCC(C)(CNC(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C)CO

>  <Isomeric SMILES>
CC[C@](C)(CNC(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C)CO

>  <InChI Std. ID>
InChI=1S/C22H29N3O2/c1-4-22(2,13-26)12-24-21(27)15-8-17-16-6-5-7-18-20(16)14(10-23-18)9-19(17)25(3)11-15/h5-8,10,15,19,23,26H,4,9,11-13H2,1-3H3,(H,24,27)/t15-,19-,22-/m1/s1

>  <InChI Key>
MLGNCAXDEPBXNR-YIFZBPKDSA-N

