
 SCHEMBL932470

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M  END

>  <Chemical Name>
SCHEMBL932470

>  <PubChem CID>
59636732

>  <Formula>
C26H28N6O2

>  <Molecular Weight>
456.550000

>  <IUPAC Name>
N-[(2-methylpyrimidin-5-yl)methyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=NC=C(C=N1)CNC(=O)C2=CC3=C(O2)C(=CC=C3)N4CCN(CC4)CCC5=CC=CC=N5

>  <Isomeric SMILES>
CC1=NC=C(C=N1)CNC(=O)C2=CC3=C(O2)C(=CC=C3)N4CCN(CC4)CCC5=CC=CC=N5

>  <InChI Std. ID>
InChI=1S/C26H28N6O2/c1-19-28-16-20(17-29-19)18-30-26(33)24-15-21-5-4-7-23(25(21)34-24)32-13-11-31(12-14-32)10-8-22-6-2-3-9-27-22/h2-7,9,15-17H,8,10-14,18H2,1H3,(H,30,33)

>  <InChI Key>
MZZSMGOVCAPEFV-UHFFFAOYSA-N

