
 CHEMBL522438

 70 74  0  0  0  0  0  0  0  0999 V2000
    1.0270    0.8389    0.5834 C   0  0  0  0  0
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    7.2907   -8.1726    0.0510 H   0  0  0  0  0
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   11.9572   -4.0757   -2.2201 H   0  0  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
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 35 70  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL522438

>  <PubChem CID>
44580015

>  <Formula>
C28H35N5O2

>  <Molecular Weight>
473.621000

>  <IUPAC Name>
1-benzyl-N-[3-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-3-oxopropyl]benzimidazole-2-carboxamide

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN1CCC2(CC1)CCN(CC2)C(=O)CCNC(=O)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5

>  <Isomeric SMILES>
CN1CCC2(CC1)CCN(CC2)C(=O)CCNC(=O)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C28H35N5O2/c1-31-17-12-28(13-18-31)14-19-32(20-15-28)25(34)11-16-29-27(35)26-30-23-9-5-6-10-24(23)33(26)21-22-7-3-2-4-8-22/h2-10H,11-21H2,1H3,(H,29,35)

>  <InChI Key>
HWZDSHWAPUQVMF-UHFFFAOYSA-N

