
 SCHEMBL931519

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M  END

>  <Chemical Name>
SCHEMBL931519

>  <PubChem CID>
59636742

>  <Formula>
C27H29N5O2

>  <Molecular Weight>
455.562000

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

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

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

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

>  <InChI Std. ID>
InChI=1S/C27H29N5O2/c1-30(20-23-9-3-5-13-29-23)27(33)25-19-21-7-6-10-24(26(21)34-25)32-17-15-31(16-18-32)14-11-22-8-2-4-12-28-22/h2-10,12-13,19H,11,14-18,20H2,1H3

>  <InChI Key>
JUHQRDJLVVSGKB-UHFFFAOYSA-N

