
 CHEMBL64954

 59 61  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL64954

>  <PubChem CID>
44305704

>  <Formula>
C23H29N5O2

>  <Molecular Weight>
407.518000

>  <IUPAC Name>
(2R)-N-(4-aminobutyl)-2-(benzylcarbamoylamino)-3-(1H-indol-3-yl)propanamide

>  <XlogP>
1.900

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC=C(C=C1)CNC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NCCCCN

>  <Isomeric SMILES>
C1=CC=C(C=C1)CNC(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)NCCCCN

>  <InChI Std. ID>
InChI=1S/C23H29N5O2/c24-12-6-7-13-25-22(29)21(14-18-16-26-20-11-5-4-10-19(18)20)28-23(30)27-15-17-8-2-1-3-9-17/h1-5,8-11,16,21,26H,6-7,12-15,24H2,(H,25,29)(H2,27,28,30)/t21-/m1/s1

>  <InChI Key>
CKUHVWJCONRCIC-OAQYLSRUSA-N

