
 SCHEMBL932656

 65 69  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL932656

>  <PubChem CID>
59636774

>  <Formula>
C27H30N6O2

>  <Molecular Weight>
470.577000

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

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

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

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

>  <InChI Std. ID>
InChI=1S/C27H30N6O2/c1-20-8-12-29-25(31-20)9-13-30-27(34)24-19-21-5-4-7-23(26(21)35-24)33-17-15-32(16-18-33)14-10-22-6-2-3-11-28-22/h2-8,11-12,19H,9-10,13-18H2,1H3,(H,30,34)

>  <InChI Key>
TYRJMRWNDANHBQ-UHFFFAOYSA-N

