
 CHEMBL146128

 76 80  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL146128

>  <PubChem CID>
15485372

>  <Formula>
C30H39N5O2

>  <Molecular Weight>
501.675000

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

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CC2(CCN(CC2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NCCCCCN)C5=CC=CC=C51

>  <Isomeric SMILES>
C1CC2(CCN(CC2)C(=O)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)NCCCCCN)C5=CC=CC=C51

>  <InChI Std. ID>
InChI=1S/C30H39N5O2/c31-16-6-1-7-17-32-28(36)27(20-23-21-33-26-11-5-3-9-24(23)26)34-29(37)35-18-14-30(15-19-35)13-12-22-8-2-4-10-25(22)30/h2-5,8-11,21,27,33H,1,6-7,12-20,31H2,(H,32,36)(H,34,37)/t27-/m1/s1

>  <InChI Key>
IBAWFPDAZBAXMO-HHHXNRCGSA-N

