
 CHEMBL274599

 68 72  0  0  0  0  0  0  0  0999 V2000
    6.4769   -2.1480    0.3537 C   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL274599

>  <PubChem CID>
9890375

>  <Formula>
C28H34N4O2

>  <Molecular Weight>
458.606000

>  <IUPAC Name>
2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-methylpropanamide

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N3CCC4(CCC5=CC=CC=C54)CC3)N

>  <Isomeric SMILES>
CC(C)(C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N3CCC4(CCC5=CC=CC=C54)CC3)N

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

>  <InChI Key>
NQEGSKXLUMFKJZ-XMMPIXPASA-N

