
 CHEMBL290612

 60 63  0  0  0  0  0  0  0  0999 V2000
    2.3501   -0.5402   -0.1235 C   0  0  0  0  0
    2.7543   -0.7807    1.3234 C   0  0  0  0  0
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    0.7953   -7.5807    5.4957 C   0  0  0  0  0
    1.2252   -8.0429    6.8876 C   0  0  0  0  0
    1.0663   -6.9697    7.8184 O   0  0  0  0  0
    1.3917   -7.2302    9.1220 C   0  0  0  0  0
    1.7545   -8.4735    9.6373 C   0  0  0  0  0
    2.0546   -8.5982   10.9990 C   0  0  0  0  0
    2.0026   -7.4964   11.8495 C   0  0  0  0  0
    1.6380   -6.2536   11.3392 C   0  0  0  0  0
    1.3315   -6.1254    9.9797 C   0  0  0  0  0
    2.3007   -7.5736   13.1884 O   0  0  0  0  0
    2.6810   -8.8032   13.6941 C   0  0  0  0  0
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    2.4322   -9.9057   11.5563 C   0  0  0  0  0
    2.4825  -10.9202   10.8742 O   0  0  0  0  0
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    2.0527   -9.0141   16.0887 C   0  0  0  0  0
    2.4485   -9.0572   17.4152 C   0  0  0  0  0
    3.7269   -8.9054   17.8229 N   0  0  0  0  0
    4.6525   -8.6963   16.8629 C   0  0  0  0  0
    4.3584   -8.6371   15.5115 C   0  0  0  0  0
    1.2984   -0.2308   -0.1657 H   0  0  0  0  0
    2.9441    0.2747   -0.5512 H   0  0  0  0  0
    2.5317    0.1095    1.9225 H   0  0  0  0  0
    3.8387   -0.9404    1.3794 H   0  0  0  0  0
    2.4174   -2.1284    2.9258 H   0  0  0  0  0
    0.9559   -1.7693    1.9986 H   0  0  0  0  0
    2.0449   -3.8916   -0.8791 H   0  0  0  0  0
    0.7370   -2.8319   -0.3423 H   0  0  0  0  0
    3.6139   -2.0366   -1.0203 H   0  0  0  0  0
    2.1649   -1.6628   -1.9523 H   0  0  0  0  0
    1.6690   -5.2281    0.9967 H   0  0  0  0  0
    0.4365   -4.1708    1.6835 H   0  0  0  0  0
    1.8164   -3.9841    3.7850 H   0  0  0  0  0
    3.0607   -5.0016    3.0505 H   0  0  0  0  0
    1.4072   -6.8688    2.8714 H   0  0  0  0  0
    0.1453   -5.8242    3.5286 H   0  0  0  0  0
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    2.7003   -6.6919    4.9812 H   0  0  0  0  0
    0.8638   -8.4279    4.8032 H   0  0  0  0  0
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    3.0585  -10.8912   13.4071 H   0  0  0  0  0
    1.0092   -9.1506   15.8261 H   0  0  0  0  0
    1.7271   -9.2255   18.2100 H   0  0  0  0  0
    5.6718   -8.5787   17.2198 H   0  0  0  0  0
    5.1497   -8.4719   14.7882 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  5 38  1  0  0  0
  6 39  1  0  0  0
  6 40  1  0  0  0
  7  8  1  0  0  0
  7 41  1  0  0  0
  7 42  1  0  0  0
  8  9  1  0  0  0
  8 43  1  0  0  0
  8 44  1  0  0  0
  9 10  1  0  0  0
  9 45  1  0  0  0
  9 46  1  0  0  0
 10 11  1  0  0  0
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 30 60  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL290612

>  <PubChem CID>
14983050

>  <Formula>
C25H30N2O3

>  <Molecular Weight>
406.526000

>  <IUPAC Name>
6-(6-piperidin-1-ylhexoxy)-2-pyridin-4-ylchromen-4-one

>  <XlogP>
4.400

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CCN(CC1)CCCCCCOC2=CC3=C(C=C2)OC(=CC3=O)C4=CC=NC=C4

>  <Isomeric SMILES>
C1CCN(CC1)CCCCCCOC2=CC3=C(C=C2)OC(=CC3=O)C4=CC=NC=C4

>  <InChI Std. ID>
InChI=1S/C25H30N2O3/c28-23-19-25(20-10-12-26-13-11-20)30-24-9-8-21(18-22(23)24)29-17-7-2-1-4-14-27-15-5-3-6-16-27/h8-13,18-19H,1-7,14-17H2

>  <InChI Key>
ADPUUXSSYIILOK-UHFFFAOYSA-N

