
 CHEMBL59033

 50 52  0  0  0  0  0  0  0  0999 V2000
   -3.6979    4.3311   -2.9866 C   0  0  0  0  0
   -3.8546    2.8977   -2.5117 C   0  0  0  0  0
   -2.4715    2.4724   -2.0126 C   0  0  0  0  0
   -1.6255    3.7642   -1.8832 C   0  0  0  0  0
   -2.6597    4.8973   -2.0323 C   0  0  0  0  0
   -0.5664    3.8613   -2.9852 C   0  0  0  0  0
    0.5448    2.8481   -2.8313 C   0  0  0  0  0
    1.1934    2.4971   -3.8190 O   0  0  0  0  0
    0.8189    2.3978   -1.5441 N   0  0  0  0  0
    0.1824    2.8257   -0.3820 C   0  0  0  0  0
    0.4873    2.4346    0.7467 O   0  0  0  0  0
   -0.8980    3.8703   -0.5471 C   0  0  0  0  0
    1.9387    1.4693   -1.3952 C   0  0  0  0  0
    3.3056    2.1858   -1.3825 C   0  0  0  0  0
    3.4090    3.1895   -0.3124 N   0  0  0  0  0
    4.7604    3.7542   -0.2504 C   0  0  0  0  0
    4.9211    4.7226    0.9300 C   0  0  0  0  0
    6.2221    5.3130    0.9226 O   0  0  0  0  0
    6.4346    6.4704    0.2205 C   0  0  0  0  0
    5.4704    7.1294   -0.5501 C   0  0  0  0  0
    5.7852    8.3153   -1.2235 C   0  0  0  0  0
    7.0669    8.8528   -1.1422 C   0  0  0  0  0
    8.0409    8.2022   -0.3885 C   0  0  0  0  0
    7.7272    7.0190    0.2881 C   0  0  0  0  0
    8.9835    6.2572    1.2027 Cl  0  0  0  0  0
   -4.6409    4.8843   -2.9497 H   0  0  0  0  0
   -3.3310    4.3553   -4.0188 H   0  0  0  0  0
   -4.5713    2.8568   -1.6826 H   0  0  0  0  0
   -4.2278    2.2407   -3.3031 H   0  0  0  0  0
   -2.5760    1.9477   -1.0557 H   0  0  0  0  0
   -2.0252    1.7607   -2.7166 H   0  0  0  0  0
   -2.2266    5.8295   -2.4093 H   0  0  0  0  0
   -3.1359    5.1189   -1.0684 H   0  0  0  0  0
   -1.0212    3.7089   -3.9712 H   0  0  0  0  0
   -0.0964    4.8528   -2.9890 H   0  0  0  0  0
   -1.6094    3.7535    0.2797 H   0  0  0  0  0
   -0.4234    4.8532   -0.4361 H   0  0  0  0  0
    1.9207    0.7545   -2.2267 H   0  0  0  0  0
    1.8218    0.8840   -0.4756 H   0  0  0  0  0
    3.4695    2.6768   -2.3488 H   0  0  0  0  0
    4.0837    1.4229   -1.2602 H   0  0  0  0  0
    3.1583    2.7598    0.5821 H   0  0  0  0  0
    4.9861    4.2739   -1.1886 H   0  0  0  0  0
    5.5100    2.9590   -0.1478 H   0  0  0  0  0
    4.8491    4.1511    1.8635 H   0  0  0  0  0
    4.1234    5.4718    0.9842 H   0  0  0  0  0
    4.4599    6.7486   -0.6575 H   0  0  0  0  0
    5.0236    8.8187   -1.8146 H   0  0  0  0  0
    7.3080    9.7739   -1.6667 H   0  0  0  0  0
    9.0432    8.6191   -0.3297 H   0  0  0  0  0
  1  2  1  0  0  0
  1  5  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  4  6  1  0  0  0
  4 12  1  0  0  0
  4  5  1  0  0  0
  5 32  1  0  0  0
  5 33  1  0  0  0
  6  7  1  0  0  0
  6 34  1  0  0  0
  6 35  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 13  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 36  1  0  0  0
 12 37  1  0  0  0
 13 14  1  0  0  0
 13 38  1  0  0  0
 13 39  1  0  0  0
 14 15  1  0  0  0
 14 40  1  0  0  0
 14 41  1  0  0  0
 15 16  1  0  0  0
 15 42  1  0  0  0
 16 17  1  0  0  0
 16 43  1  0  0  0
 16 44  1  0  0  0
 17 18  1  0  0  0
 17 45  1  0  0  0
 17 46  1  0  0  0
 18 19  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 47  1  0  0  0
 21 22  2  0  0  0
 21 48  1  0  0  0
 22 23  1  0  0  0
 22 49  1  0  0  0
 23 24  2  0  0  0
 23 50  1  0  0  0
 24 25  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL59033

>  <PubChem CID>
11210745

>  <Formula>
C19H25ClN2O3

>  <Molecular Weight>
364.870000

>  <IUPAC Name>
8-[2-[2-(2-chlorophenoxy)ethylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCC2(C1)CC(=O)N(C(=O)C2)CCNCCOC3=CC=CC=C3Cl

>  <Isomeric SMILES>
C1CCC2(C1)CC(=O)N(C(=O)C2)CCNCCOC3=CC=CC=C3Cl

>  <InChI Std. ID>
InChI=1S/C19H25ClN2O3/c20-15-5-1-2-6-16(15)25-12-10-21-9-11-22-17(23)13-19(14-18(22)24)7-3-4-8-19/h1-2,5-6,21H,3-4,7-14H2

>  <InChI Key>
BADSRELYUVTCEO-UHFFFAOYSA-N

