
 CHEMBL284912

 60 62  0  0  0  0  0  0  0  0999 V2000
    2.7124    1.4787   -2.6435 C   0  0  0  0  0
    3.9821    2.3099   -2.5059 C   0  0  0  0  0
    3.6432    3.8044   -2.3795 C   0  0  0  0  0
    4.7911    4.7120   -2.1539 N   0  0  0  0  0
    5.8119    4.5407   -3.2084 C   0  0  0  0  0
    7.0711    5.4166   -3.0955 C   0  0  0  0  0
    8.0964    4.9918   -4.1564 C   0  0  0  0  0
    9.4101    5.7743   -4.0375 C   0  0  0  0  0
   10.3757    5.4469   -5.1042 N   0  0  0  0  0
   10.8167    4.0348   -5.0541 C   0  0  0  0  0
   11.9197    3.7376   -6.0833 C   0  0  0  0  0
   13.0526    4.5934   -5.8954 O   0  0  0  0  0
   12.6479    5.9625   -6.0195 C   0  0  0  0  0
   11.5681    6.3180   -4.9851 C   0  0  0  0  0
    4.3714    6.1370   -1.9446 C   0  0  0  0  0
    3.7557    6.8763   -3.1458 C   0  0  0  0  0
    2.2693    6.6677   -3.2560 C   0  0  0  0  0
    1.5316    6.3021   -2.1256 C   0  0  0  0  0
    0.1575    6.0780   -2.2192 C   0  0  0  0  0
   -0.4931    6.2303   -3.4399 C   0  0  0  0  0
    0.2281    6.6129   -4.5704 C   0  0  0  0  0
    1.6066    6.8391   -4.4883 C   0  0  0  0  0
    2.3960    7.2199   -5.5430 O   0  0  0  0  0
    1.7867    7.2893   -6.8255 C   0  0  0  0  0
    2.0732    6.0624   -0.8939 O   0  0  0  0  0
    3.4555    6.3823   -0.7241 C   0  0  0  0  0
    2.9617    0.4202   -2.7560 H   0  0  0  0  0
    2.1382    1.7873   -3.5227 H   0  0  0  0  0
    2.0727    1.5878   -1.7614 H   0  0  0  0  0
    4.5969    2.1203   -3.3922 H   0  0  0  0  0
    4.5458    1.9743   -1.6274 H   0  0  0  0  0
    2.9597    3.8800   -1.5296 H   0  0  0  0  0
    3.1004    4.0967   -3.2840 H   0  0  0  0  0
    5.3674    4.6720   -4.2020 H   0  0  0  0  0
    6.1738    3.5072   -3.1602 H   0  0  0  0  0
    7.5093    5.3084   -2.0952 H   0  0  0  0  0
    6.8278    6.4737   -3.2425 H   0  0  0  0  0
    7.6674    5.1390   -5.1555 H   0  0  0  0  0
    8.2880    3.9194   -4.0384 H   0  0  0  0  0
    9.8521    5.6021   -3.0481 H   0  0  0  0  0
    9.1696    6.8436   -4.1001 H   0  0  0  0  0
    9.9789    3.3636   -5.2710 H   0  0  0  0  0
   11.1947    3.7989   -4.0504 H   0  0  0  0  0
   12.2632    2.7043   -5.9674 H   0  0  0  0  0
   11.5468    3.8494   -7.1090 H   0  0  0  0  0
   13.5356    6.5832   -5.8561 H   0  0  0  0  0
   12.2978    6.1463   -7.0431 H   0  0  0  0  0
   12.0006    6.2188   -3.9810 H   0  0  0  0  0
   11.2793    7.3650   -5.1282 H   0  0  0  0  0
    5.2980    6.6648   -1.6834 H   0  0  0  0  0
    4.2670    6.5944   -4.0700 H   0  0  0  0  0
    3.9236    7.9548   -3.0181 H   0  0  0  0  0
   -0.4011    5.7725   -1.3392 H   0  0  0  0  0
   -1.5618    6.0477   -3.5101 H   0  0  0  0  0
   -0.3159    6.7242   -5.5021 H   0  0  0  0  0
    2.5621    7.5610   -7.5484 H   0  0  0  0  0
    1.0182    8.0679   -6.8543 H   0  0  0  0  0
    1.3802    6.3175   -7.1244 H   0  0  0  0  0
    3.5100    7.4399   -0.4321 H   0  0  0  0  0
    3.8208    5.8111    0.1373 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  2 31  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  4 15  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  5 35  1  0  0  0
  6  7  1  0  0  0
  6 36  1  0  0  0
  6 37  1  0  0  0
  7  8  1  0  0  0
  7 38  1  0  0  0
  7 39  1  0  0  0
  8  9  1  0  0  0
  8 40  1  0  0  0
  8 41  1  0  0  0
  9 14  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 42  1  0  0  0
 10 43  1  0  0  0
 11 12  1  0  0  0
 11 44  1  0  0  0
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 12 13  1  0  0  0
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 14 48  1  0  0  0
 14 49  1  0  0  0
 15 26  1  0  0  0
 15 16  1  0  0  0
 15 50  1  0  0  0
 16 17  1  0  0  0
 16 51  1  0  0  0
 16 52  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
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 19 20  2  0  0  0
 19 53  1  0  0  0
 20 21  1  0  0  0
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 21 22  2  0  0  0
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 23 24  1  0  0  0
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 24 58  1  0  0  0
 25 26  1  0  0  0
 26 59  1  0  0  0
 26 60  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL284912

>  <PubChem CID>
9975915

>  <Formula>
C21H34N2O3

>  <Molecular Weight>
362.514000

>  <IUPAC Name>
5-methoxy-N-(4-morpholin-4-ylbutyl)-N-propyl-3,4-dihydro-2H-chromen-3-amine

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCN(CCCCN1CCOCC1)C2CC3=C(C=CC=C3OC)OC2

>  <Isomeric SMILES>
CCCN(CCCCN1CCOCC1)C2CC3=C(C=CC=C3OC)OC2

>  <InChI Std. ID>
InChI=1S/C21H34N2O3/c1-3-9-23(11-5-4-10-22-12-14-25-15-13-22)18-16-19-20(24-2)7-6-8-21(19)26-17-18/h6-8,18H,3-5,9-17H2,1-2H3

>  <InChI Key>
LUDDDWQEQCANFX-UHFFFAOYSA-N

