
 SCHEMBL931161

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M  END

>  <Chemical Name>
SCHEMBL931161

>  <PubChem CID>
59636760

>  <Formula>
C27H29N5O2

>  <Molecular Weight>
455.562000

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

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

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

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

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

>  <InChI Key>
ICBLNAUTYHYELQ-UHFFFAOYSA-N

