
 CHEMBL13841

 71 75  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL13841

>  <PubChem CID>
22867380

>  <Formula>
C29H36N4O2

>  <Molecular Weight>
472.633000

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

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N3CCC4(CCCC5=CC=CC=C54)CC3)N

>  <Isomeric SMILES>
CC(C)(C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N3CCC4(CCCC5=CC=CC=C54)CC3)N

>  <InChI Std. ID>
InChI=1S/C29H36N4O2/c1-28(2,30)27(35)32-25(18-21-19-31-24-12-6-4-10-22(21)24)26(34)33-16-14-29(15-17-33)13-7-9-20-8-3-5-11-23(20)29/h3-6,8,10-12,19,25,31H,7,9,13-18,30H2,1-2H3,(H,32,35)/t25-/m1/s1

>  <InChI Key>
SJLGCGOOPPOGQQ-RUZDIDTESA-N

