
 SCHEMBL3787659

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M  END

>  <Chemical Name>
SCHEMBL3787659

>  <PubChem CID>
59636752

>  <Formula>
C27H33N5O3

>  <Molecular Weight>
475.593000

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

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(=O)N1CCC(CC1)NC(=O)C2=CC3=C(O2)C(=CC=C3)N4CCN(CC4)CCC5=CC=CC=N5

>  <Isomeric SMILES>
CC(=O)N1CCC(CC1)NC(=O)C2=CC3=C(O2)C(=CC=C3)N4CCN(CC4)CCC5=CC=CC=N5

>  <InChI Std. ID>
InChI=1S/C27H33N5O3/c1-20(33)31-13-9-23(10-14-31)29-27(34)25-19-21-5-4-7-24(26(21)35-25)32-17-15-30(16-18-32)12-8-22-6-2-3-11-28-22/h2-7,11,19,23H,8-10,12-18H2,1H3,(H,29,34)

>  <InChI Key>
WEEPNTJUAXCUFN-UHFFFAOYSA-N

