
 CHEMBL1223152

 66 71  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1223152

>  <PubChem CID>
49865285

>  <Formula>
C28H31N5O2

>  <Molecular Weight>
469.589000

>  <IUPAC Name>
3-[1-[1-(quinolin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCC1C(=O)N2CCC(CC2)N3C4=CC=CC=C4NC3=O)CC5=CC=NC6=CC=CC=C56

>  <Isomeric SMILES>
C1CN(CCC1C(=O)N2CCC(CC2)N3C4=CC=CC=C4NC3=O)CC5=CC=NC6=CC=CC=C56

>  <InChI Std. ID>
InChI=1S/C28H31N5O2/c34-27(32-17-12-22(13-18-32)33-26-8-4-3-7-25(26)30-28(33)35)20-10-15-31(16-11-20)19-21-9-14-29-24-6-2-1-5-23(21)24/h1-9,14,20,22H,10-13,15-19H2,(H,30,35)

>  <InChI Key>
AUMOEAVBRPKFTP-UHFFFAOYSA-N

