
 CHEMBL52485

 66 68  0  0  0  0  0  0  0  0999 V2000
    1.1925    0.1462   -1.7368 C   0  0  0  0  0
    2.3936    1.0556   -1.5152 C   0  0  0  0  0
    1.9489    2.4805   -1.1526 C   0  0  0  0  0
    3.0538    3.4183   -0.8454 N   0  0  0  0  0
    4.0443    3.5143   -1.9356 C   0  0  0  0  0
    3.4971    4.0434   -3.2663 C   0  0  0  0  0
    4.5924    4.1805   -4.3275 C   0  0  0  0  0
    4.0358    4.5956   -5.6986 C   0  0  0  0  0
    3.4465    5.9361   -5.6917 N   0  0  0  0  0
    4.3140    7.0087   -5.8861 C   0  0  0  0  0
    5.5281    6.8816   -6.0459 O   0  0  0  0  0
    3.6789    8.3775   -5.9591 C   0  0  0  0  0
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    1.4908    7.4271   -5.3219 C   0  0  0  0  0
    2.0782    6.0397   -5.4473 C   0  0  0  0  0
    1.3333    5.0601   -5.3676 O   0  0  0  0  0
    1.8460    9.8966   -5.1960 C   0  0  0  0  0
    2.9800    8.4295   -3.5272 C   0  0  0  0  0
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    1.7288    4.5917    0.9395 C   0  0  0  0  0
    1.5388    5.8799    1.6995 C   0  0  0  0  0
    2.1851    7.0477    1.2836 C   0  0  0  0  0
    1.9937    8.2467    1.9659 C   0  0  0  0  0
    1.1886    8.2813    3.0993 C   0  0  0  0  0
    0.5610    7.1158    3.5467 C   0  0  0  0  0
    0.7293    5.9139    2.8516 C   0  0  0  0  0
    0.1487    4.7223    3.2028 O   0  0  0  0  0
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    3.0092    7.0966    0.1949 O   0  0  0  0  0
    3.5934    5.8266   -0.1281 C   0  0  0  0  0
    1.5246   -0.8750   -1.9491 H   0  0  0  0  0
    0.5951    0.4920   -2.5864 H   0  0  0  0  0
    0.5481    0.1174   -0.8520 H   0  0  0  0  0
    2.9918    1.0464   -2.4319 H   0  0  0  0  0
    3.0128    0.6450   -0.7094 H   0  0  0  0  0
    1.3101    2.3748   -0.2696 H   0  0  0  0  0
    1.3104    2.8833   -1.9493 H   0  0  0  0  0
    4.5036    2.5320   -2.0978 H   0  0  0  0  0
    4.8939    4.1256   -1.6117 H   0  0  0  0  0
    3.0313    5.0191   -3.1032 H   0  0  0  0  0
    2.7243    3.3673   -3.6480 H   0  0  0  0  0
    5.1064    3.2185   -4.4415 H   0  0  0  0  0
    5.3404    4.9072   -3.9896 H   0  0  0  0  0
    3.2943    3.8616   -6.0349 H   0  0  0  0  0
    4.8517    4.5709   -6.4311 H   0  0  0  0  0
    4.4493    9.1254   -5.7367 H   0  0  0  0  0
    3.3585    8.5331   -6.9965 H   0  0  0  0  0
    0.7151    7.3932   -4.5464 H   0  0  0  0  0
    0.9905    7.6387   -6.2763 H   0  0  0  0  0
    1.4853   10.0161   -6.2238 H   0  0  0  0  0
    2.5533   10.7097   -4.9965 H   0  0  0  0  0
    0.9882   10.0263   -4.5262 H   0  0  0  0  0
    3.4474    7.4669   -3.2983 H   0  0  0  0  0
    2.1419    8.5586   -2.8328 H   0  0  0  0  0
    3.7161    9.2109   -3.3058 H   0  0  0  0  0
    1.8316    5.1431   -1.1358 H   0  0  0  0  0
    2.2492    3.8883    1.6031 H   0  0  0  0  0
    0.7367    4.1821    0.7140 H   0  0  0  0  0
    2.4893    9.1513    1.6211 H   0  0  0  0  0
    1.0517    9.2140    3.6405 H   0  0  0  0  0
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   -0.9262    3.6530    4.5688 H   0  0  0  0  0
   -1.4437    5.3336    4.3998 H   0  0  0  0  0
    0.0830    4.9209    5.2757 H   0  0  0  0  0
    4.1815    6.0160   -1.0301 H   0  0  0  0  0
    4.2965    5.5327    0.6628 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  2 35  1  0  0  0
  3  4  1  0  0  0
  3 36  1  0  0  0
  3 37  1  0  0  0
  4 19  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 38  1  0  0  0
  5 39  1  0  0  0
  6  7  1  0  0  0
  6 40  1  0  0  0
  6 41  1  0  0  0
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  7 42  1  0  0  0
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  9 10  1  0  0  0
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 30 66  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL52485

>  <PubChem CID>
10024943

>  <Formula>
C24H36N2O4

>  <Molecular Weight>
416.562000

>  <IUPAC Name>
1-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]-4,4-dimethylpiperidine-2,6-dione

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCN(CCCCN1C(=O)CC(CC1=O)(C)C)C2CC3=C(C=CC=C3OC)OC2

>  <Isomeric SMILES>
CCCN(CCCCN1C(=O)CC(CC1=O)(C)C)C2CC3=C(C=CC=C3OC)OC2

>  <InChI Std. ID>
InChI=1S/C24H36N2O4/c1-5-11-25(18-14-19-20(29-4)9-8-10-21(19)30-17-18)12-6-7-13-26-22(27)15-24(2,3)16-23(26)28/h8-10,18H,5-7,11-17H2,1-4H3

>  <InChI Key>
KZRCUUSRYFALEA-UHFFFAOYSA-N

