
 CHEMBL1809011

 62 67  0  0  0  0  0  0  0  0999 V2000
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  7 44  1  0  0  0
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  8  9  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1809011

>  <PubChem CID>
56670448

>  <Formula>
C27H28N4O3

>  <Molecular Weight>
456.546000

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

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCC1O)C(=O)C2CN(C3CC4=CNC5=CC=CC(=C45)C3=C2)C(=O)NC6=CC=CC=C6

>  <Isomeric SMILES>
C1CN(CCC1O)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/C27H28N4O3/c32-20-9-11-30(12-10-20)26(33)18-13-22-21-7-4-8-23-25(21)17(15-28-23)14-24(22)31(16-18)27(34)29-19-5-2-1-3-6-19/h1-8,13,15,18,20,24,28,32H,9-12,14,16H2,(H,29,34)/t18-,24-/m1/s1

>  <InChI Key>
CAOVBFVVCXSCPJ-HOYKHHGWSA-N

