
 CHEMBL3415013

 63 66  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3415013

>  <PubChem CID>
73437673

>  <Formula>
C25H32N4O2

>  <Molecular Weight>
420.557000

>  <IUPAC Name>
3-(1H-indol-3-yl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]propanamide

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=CC=CC=C1N2CCN(CC2)CCCNC(=O)CCC3=CNC4=CC=CC=C43

>  <Isomeric SMILES>
COC1=CC=CC=C1N2CCN(CC2)CCCNC(=O)CCC3=CNC4=CC=CC=C43

>  <InChI Std. ID>
InChI=1S/C25H32N4O2/c1-31-24-10-5-4-9-23(24)29-17-15-28(16-18-29)14-6-13-26-25(30)12-11-20-19-27-22-8-3-2-7-21(20)22/h2-5,7-10,19,27H,6,11-18H2,1H3,(H,26,30)

>  <InChI Key>
BBFIPEKVGBSHCU-UHFFFAOYSA-N

