
 CHEMBL355202

 54 59  0  0  0  0  0  0  0  0999 V2000
    0.5937    1.2432   -0.5638 C   0  0  0  0  0
    2.1031    1.0575   -0.4437 C   0  0  0  0  0
    2.5661    0.2037    0.6410 N   0  0  0  0  0
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   -1.5566    1.0112    1.5500 O   0  0  0  0  0
   -2.6082   -0.0124   -0.1911 N   0  0  0  0  0
   -2.3235   -0.4283   -1.5114 C   0  0  0  0  0
   -0.8764   -0.5816   -1.5557 N   0  0  0  0  0
   -0.2662   -0.8545   -2.7686 C   0  0  0  0  0
   -0.9606   -0.7951   -3.9941 C   0  0  0  0  0
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    0.9920   -1.4100   -5.2778 C   0  0  0  0  0
    1.7026   -1.5090   -4.0922 C   0  0  0  0  0
    1.0732   -1.2400   -2.8676 C   0  0  0  0  0
    2.8668    0.8163    1.9385 C   0  0  0  0  0
    1.7062    1.5678    2.6983 C   0  0  0  0  0
    2.2135    2.9599    2.8655 C   0  0  0  0  0
    1.5684    4.0632    3.4063 C   0  0  0  0  0
    2.3025    5.2627    3.4377 C   0  0  0  0  0
    3.6233    5.3423    2.9510 C   0  0  0  0  0
    4.2457    4.2053    2.4049 C   0  0  0  0  0
    3.5010    3.0531    2.3786 C   0  0  0  0  0
    3.9502    1.8595    1.8498 C   0  0  0  0  0
    5.2346    1.7463    1.3293 C   0  0  0  0  0
    6.0274    2.9069    1.3556 C   0  0  0  0  0
    5.5480    4.1244    1.8790 C   0  0  0  0  0
    0.3724    1.6561   -1.5569 H   0  0  0  0  0
    0.3030    2.0444    0.1258 H   0  0  0  0  0
    2.4799    0.6321   -1.3800 H   0  0  0  0  0
    2.5745    2.0469   -0.4093 H   0  0  0  0  0
    2.2183   -1.6468    1.5891 H   0  0  0  0  0
    2.3432   -1.7066   -0.1197 H   0  0  0  0  0
    0.0767   -2.1011    0.2644 H   0  0  0  0  0
    0.0340   -1.0030    1.6152 H   0  0  0  0  0
   -3.5268    0.2497    0.1344 H   0  0  0  0  0
   -2.8491   -1.3677   -1.7083 H   0  0  0  0  0
   -2.6851    0.3651   -2.1737 H   0  0  0  0  0
   -2.0098   -0.5193   -4.0367 H   0  0  0  0  0
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    1.4749   -1.6139   -6.2288 H   0  0  0  0  0
    2.7496   -1.8007   -4.1061 H   0  0  0  0  0
    1.6735   -1.3690   -1.9824 H   0  0  0  0  0
    3.2647    0.0434    2.6119 H   0  0  0  0  0
    0.7635    1.5675    2.1600 H   0  0  0  0  0
    1.5387    1.1104    3.6800 H   0  0  0  0  0
    0.5521    3.9987    3.7784 H   0  0  0  0  0
    1.8359    6.1554    3.8496 H   0  0  0  0  0
    4.1543    6.2891    2.9960 H   0  0  0  0  0
    5.5901    0.8103    0.9145 H   0  0  0  0  0
    7.0376    2.8640    0.9534 H   0  0  0  0  0
    6.1913    4.9998    1.8718 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  2 33  1  0  0  0
  3  4  1  0  0  0
  3 18  1  0  0  0
  4  5  1  0  0  0
  4 34  1  0  0  0
  4 35  1  0  0  0
  5  6  1  0  0  0
  5 36  1  0  0  0
  5 37  1  0  0  0
  6 11  1  0  0  0
  6  7  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 38  1  0  0  0
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 10 39  1  0  0  0
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 18 19  1  0  0  0
 18 26  1  0  0  0
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 19 20  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL355202

>  <PubChem CID>
15512229

>  <Formula>
C25H25N3O

>  <Molecular Weight>
383.495000

>  <IUPAC Name>
8-[(1R)-1,2-dihydroacenaphthylen-1-yl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)C4CC5=CC=CC6=C5C4=CC=C6

>  <Isomeric SMILES>
C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)[C@@H]4CC5=CC=CC6=C5C4=CC=C6

>  <InChI Std. ID>
InChI=1S/C25H25N3O/c29-24-25(28(17-26-24)20-9-2-1-3-10-20)12-14-27(15-13-25)22-16-19-8-4-6-18-7-5-11-21(22)23(18)19/h1-11,22H,12-17H2,(H,26,29)/t22-/m1/s1

>  <InChI Key>
BBOAHBVXCYBKLC-JOCHJYFZSA-N

