
 CHEMBL1809041

 79 85  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1809041

>  <PubChem CID>
56660102

>  <Formula>
C33H39N5O2

>  <Molecular Weight>
537.708000

>  <IUPAC Name>
(6aR,9R)-N-phenyl-4-(2-piperidin-1-ylethyl)-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-7-carboxamide

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CCN(CC1)CCN2C=C3CC4C(=CC(CN4C(=O)NC5=CC=CC=C5)C(=O)N6CCCC6)C7=C3C2=CC=C7

>  <Isomeric SMILES>
C1CCN(CC1)CCN2C=C3C[C@@H]4C(=C[C@H](CN4C(=O)NC5=CC=CC=C5)C(=O)N6CCCC6)C7=C3C2=CC=C7

>  <InChI Std. ID>
InChI=1S/C33H39N5O2/c39-32(36-16-7-8-17-36)25-20-28-27-12-9-13-29-31(27)24(22-37(29)19-18-35-14-5-2-6-15-35)21-30(28)38(23-25)33(40)34-26-10-3-1-4-11-26/h1,3-4,9-13,20,22,25,30H,2,5-8,14-19,21,23H2,(H,34,40)/t25-,30-/m1/s1

>  <InChI Key>
OQNANQNEGMGLHS-FYBSXPHGSA-N

