
 CHEMBL144146

 79 83  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL144146

>  <PubChem CID>
44364061

>  <Formula>
C31H41N5O2

>  <Molecular Weight>
515.702000

>  <IUPAC Name>
N-[(2R)-1-(5-aminopentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

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

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

>  <InChI Std. ID>
InChI=1S/C31H41N5O2/c1-35(30(38)36-19-15-31(16-20-36)14-13-23-9-3-5-11-26(23)31)28(29(37)33-18-8-2-7-17-32)21-24-22-34-27-12-6-4-10-25(24)27/h3-6,9-12,22,28,34H,2,7-8,13-21,32H2,1H3,(H,33,37)/t28-/m1/s1

>  <InChI Key>
XKNUACAJSZCRGE-MUUNZHRXSA-N

