
 CHEMBL485080

 67 71  0  0  0  0  0  0  0  0999 V2000
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    9.1455   -2.7058    5.1789 C   0  0  0  0  0
   10.0132   -1.6396    5.6444 N   0  0  0  0  0
    9.6194   -0.6963    6.5674 C   0  0  0  0  0
    8.5009   -0.7177    7.0746 O   0  0  0  0  0
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    8.3106    4.9938    8.7212 C   0  0  0  0  0
    9.0826    3.8814    9.0612 C   0  0  0  0  0
    0.0302   -4.7272    7.6472 H   0  0  0  0  0
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    3.4828   -6.0028    6.8228 H   0  0  0  0  0
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    5.2539   -4.4200    6.5210 H   0  0  0  0  0
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    5.0786   -6.1924    4.5903 H   0  0  0  0  0
    7.5973   -1.4213    4.3319 H   0  0  0  0  0
    8.8736   -1.8376    3.2282 H   0  0  0  0  0
    9.7907   -3.5325    4.8627 H   0  0  0  0  0
    8.5438   -3.0648    6.0215 H   0  0  0  0  0
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   12.0442    3.0718    9.7035 H   0  0  0  0  0
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    9.0180    0.5056    9.0171 H   0  0  0  0  0
    7.3699    1.5033    7.3261 H   0  0  0  0  0
    6.0142    3.4707    6.7390 H   0  0  0  0  0
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    8.5728    5.9754    9.1077 H   0  0  0  0  0
    9.9341    4.0261    9.7199 H   0  0  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
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 34 67  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL485080

>  <PubChem CID>
44580044

>  <Formula>
C27H33N5O2

>  <Molecular Weight>
459.594000

>  <IUPAC Name>
1-benzyl-N-[3-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-3-oxopropyl]benzimidazole-2-carboxamide

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN1CCC2(C1)CCN(CC2)C(=O)CCNC(=O)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5

>  <Isomeric SMILES>
CN1CCC2(C1)CCN(CC2)C(=O)CCNC(=O)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C27H33N5O2/c1-30-16-12-27(20-30)13-17-31(18-14-27)24(33)11-15-28-26(34)25-29-22-9-5-6-10-23(22)32(25)19-21-7-3-2-4-8-21/h2-10H,11-20H2,1H3,(H,28,34)

>  <InChI Key>
NEBCXDAIFKXQPK-UHFFFAOYSA-N

