
 CHEMBL427806

 68 72  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL427806

>  <PubChem CID>
44268996

>  <Formula>
C28H34N4O2

>  <Molecular Weight>
458.606000

>  <IUPAC Name>
2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-spiro[1,3-dihydroindene-2,3'-piperidine]-1'-ylpropan-2-yl]-2-methylpropanamide

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N3CCCC4(C3)CC5=CC=CC=C5C4)N

>  <Isomeric SMILES>
CC(C)(C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N3CCCC4(C3)CC5=CC=CC=C5C4)N

>  <InChI Std. ID>
InChI=1S/C28H34N4O2/c1-27(2,29)26(34)31-24(14-21-17-30-23-11-6-5-10-22(21)23)25(33)32-13-7-12-28(18-32)15-19-8-3-4-9-20(19)16-28/h3-6,8-11,17,24,30H,7,12-16,18,29H2,1-2H3,(H,31,34)/t24-/m1/s1

>  <InChI Key>
BOSKKDVVDONTDC-XMMPIXPASA-N

