
 SCHEMBL931452

 66 70  0  0  0  0  0  0  0  0999 V2000
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   15.9219    5.5109   -0.9063 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL931452

>  <PubChem CID>
59636739

>  <Formula>
C28H31N5O2

>  <Molecular Weight>
469.589000

>  <IUPAC Name>
N-[1-(6-methylpyridin-3-yl)ethyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=NC=C(C=C1)C(C)NC(=O)C2=CC3=C(O2)C(=CC=C3)N4CCN(CC4)CCC5=CC=CC=N5

>  <Isomeric SMILES>
CC1=NC=C(C=C1)C(C)NC(=O)C2=CC3=C(O2)C(=CC=C3)N4CCN(CC4)CCC5=CC=CC=N5

>  <InChI Std. ID>
InChI=1S/C28H31N5O2/c1-20-9-10-23(19-30-20)21(2)31-28(34)26-18-22-6-5-8-25(27(22)35-26)33-16-14-32(15-17-33)13-11-24-7-3-4-12-29-24/h3-10,12,18-19,21H,11,13-17H2,1-2H3,(H,31,34)

>  <InChI Key>
ONWPRCYUJMNGHK-UHFFFAOYSA-N

