
 CHEMBL338030

 62 67  0  0  0  0  0  0  0  0999 V2000
    0.5869    1.3938   -0.1707 C   0  0  0  0  0
    1.9131    0.9141   -0.7693 C   0  0  0  0  0
    2.5859   -0.1167    0.0378 N   0  0  0  0  0
    1.6903   -1.2672    0.2141 C   0  0  0  0  0
    0.3634   -0.9067    0.8817 C   0  0  0  0  0
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   -2.6508    0.5143   -0.0634 N   0  0  0  0  0
   -2.2088   -0.1131   -1.1935 C   0  0  0  0  0
   -2.8871   -0.4669   -2.1432 O   0  0  0  0  0
   -0.8588   -0.3011   -1.1157 O   0  0  0  0  0
   -4.0478    0.7138    0.2578 C   0  0  0  0  0
   -4.6390   -0.4492    1.0180 C   0  0  0  0  0
   -5.1920   -1.5374    0.3247 C   0  0  0  0  0
   -5.7509   -2.6310    1.0077 C   0  0  0  0  0
   -6.3274   -3.7089    0.3164 C   0  0  0  0  0
   -6.8849   -4.7853    1.0086 C   0  0  0  0  0
   -6.8677   -4.8009    2.4001 C   0  0  0  0  0
   -6.2954   -3.7388    3.1023 C   0  0  0  0  0
   -5.7363   -2.6453    2.4202 C   0  0  0  0  0
   -5.1654   -1.5647    3.1100 C   0  0  0  0  0
   -4.6262   -0.4773    2.4172 C   0  0  0  0  0
    3.1336    0.4357    1.2916 C   0  0  0  0  0
    4.0468   -0.5319    2.0669 C   0  0  0  0  0
    4.6276    0.1151    3.2899 C   0  0  0  0  0
    5.8374    0.7765    3.3680 C   0  0  0  0  0
    6.0004    1.2303    4.6484 N   0  0  0  0  0
    4.9156    0.8813    5.4189 C   0  0  0  0  0
    4.0371    0.1753    4.5939 C   0  0  0  0  0
    2.8335   -0.3042    5.1482 C   0  0  0  0  0
    2.5663   -0.0552    6.4943 C   0  0  0  0  0
    3.4529    0.6500    7.2975 C   0  0  0  0  0
    4.6531    1.1351    6.7721 C   0  0  0  0  0
    1.4217   -0.5076    7.0253 F   0  0  0  0  0
    0.1164    2.0805   -0.8857 H   0  0  0  0  0
    0.7851    1.9684    0.7421 H   0  0  0  0  0
    1.7335    0.5110   -1.7747 H   0  0  0  0  0
    2.5814    1.7712   -0.9192 H   0  0  0  0  0
    2.1828   -2.0671    0.7764 H   0  0  0  0  0
    1.4903   -1.7066   -0.7724 H   0  0  0  0  0
   -0.2670   -1.8049    0.8976 H   0  0  0  0  0
    0.5404   -0.6203    1.9254 H   0  0  0  0  0
   -1.5620    1.7221    1.2147 H   0  0  0  0  0
   -1.8069    0.0512    1.7666 H   0  0  0  0  0
   -4.6099    0.8610   -0.6725 H   0  0  0  0  0
   -4.1427    1.6413    0.8343 H   0  0  0  0  0
   -5.1879   -1.5289   -0.7655 H   0  0  0  0  0
   -6.3492   -3.7143   -0.7714 H   0  0  0  0  0
   -7.3319   -5.6100    0.4597 H   0  0  0  0  0
   -7.3005   -5.6390    2.9401 H   0  0  0  0  0
   -6.2916   -3.7695    4.1894 H   0  0  0  0  0
   -5.1411   -1.5611    4.1975 H   0  0  0  0  0
   -4.1962    0.3468    2.9815 H   0  0  0  0  0
    2.3368    0.7916    1.9555 H   0  0  0  0  0
    3.7351    1.3206    1.0418 H   0  0  0  0  0
    4.8596   -0.8770    1.4155 H   0  0  0  0  0
    3.4928   -1.4241    2.3795 H   0  0  0  0  0
    6.5949    0.9618    2.6175 H   0  0  0  0  0
    6.8007    1.7478    4.9849 H   0  0  0  0  0
    2.1201   -0.8626    4.5530 H   0  0  0  0  0
    3.2049    0.8196    8.3411 H   0  0  0  0  0
    5.3519    1.6852    7.3939 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  3  1  0  0  0
  2 37  1  0  0  0
  2 38  1  0  0  0
  3  4  1  0  0  0
  3 23  1  0  0  0
  4  5  1  0  0  0
  4 39  1  0  0  0
  4 40  1  0  0  0
  5  6  1  0  0  0
  5 41  1  0  0  0
  5 42  1  0  0  0
  6 11  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 43  1  0  0  0
  7 44  1  0  0  0
  8  9  1  0  0  0
  8 12  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 12 13  1  0  0  0
 12 45  1  0  0  0
 12 46  1  0  0  0
 13 22  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 47  1  0  0  0
 15 20  1  0  0  0
 15 16  2  0  0  0
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 17 18  2  0  0  0
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 20 21  1  0  0  0
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 22 53  1  0  0  0
 23 24  1  0  0  0
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 23 55  1  0  0  0
 24 25  1  0  0  0
 24 56  1  0  0  0
 24 57  1  0  0  0
 25 29  1  0  0  0
 25 26  2  0  0  0
 26 27  1  0  0  0
 26 58  1  0  0  0
 27 28  1  0  0  0
 27 59  1  0  0  0
 28 29  2  0  0  0
 28 33  1  0  0  0
 29 30  1  0  0  0
 30 31  2  0  0  0
 30 60  1  0  0  0
 31 32  1  0  0  0
 31 34  1  0  0  0
 32 33  2  0  0  0
 32 61  1  0  0  0
 33 62  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL338030

>  <PubChem CID>
10344101

>  <Formula>
C28H28FN3O2

>  <Molecular Weight>
457.549000

>  <IUPAC Name>
8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(naphthalen-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCC12CN(C(=O)O2)CC3=CC4=CC=CC=C4C=C3)CCC5=CNC6=C5C=C(C=C6)F

>  <Isomeric SMILES>
C1CN(CCC12CN(C(=O)O2)CC3=CC4=CC=CC=C4C=C3)CCC5=CNC6=C5C=C(C=C6)F

>  <InChI Std. ID>
InChI=1S/C28H28FN3O2/c29-24-7-8-26-25(16-24)23(17-30-26)9-12-31-13-10-28(11-14-31)19-32(27(33)34-28)18-20-5-6-21-3-1-2-4-22(21)15-20/h1-8,15-17,30H,9-14,18-19H2

>  <InChI Key>
FDTLBJGKWZTQIB-UHFFFAOYSA-N

