
 CHEMBL1822446

 65 69  0  0  0  0  0  0  0  0999 V2000
    8.6932    0.8049    3.9490 C   0  0  0  0  0
    7.6660    1.5485    3.1056 C   0  0  0  0  0
    6.9533    0.5925    2.2551 N   0  0  0  0  0
    5.8499    1.1811    1.4560 C   0  0  0  0  0
    5.0117    0.0296    0.8398 C   0  0  0  0  0
    3.5538    0.5004    0.8239 C   0  0  0  0  0
    3.5351    1.8798    1.4661 C   0  0  0  0  0
    4.8009    1.9201    2.3078 C   0  0  0  0  0
    6.3983    2.0948    0.3164 C   0  0  0  0  0
    7.4342    1.4199   -0.4483 N   0  0  0  0  0
    7.7750    1.8163   -1.7123 C   0  0  0  0  0
    7.2176    2.7597   -2.2685 O   0  0  0  0  0
    8.7409    1.0295   -2.3343 N   0  0  0  0  0
    9.1938   -0.2457   -1.7821 C   0  0  0  0  0
   10.1724   -0.9890   -2.6878 C   0  0  0  0  0
   11.1713   -0.0355   -3.3454 C   0  0  0  0  0
   10.4357    1.0353   -4.1708 C   0  0  0  0  0
    8.9820    1.2590   -3.7523 C   0  0  0  0  0
   12.1006    0.5775   -2.3468 C   0  0  0  0  0
   12.3074    1.8395   -2.0591 N   0  0  0  0  0
   13.3412    1.7852   -1.1422 C   0  0  0  0  0
   13.7360    0.5310   -0.8576 N   0  0  0  0  0
   12.9245   -0.2676   -1.6630 O   0  0  0  0  0
   13.9547    3.0064   -0.6105 C   0  0  0  0  0
   14.8839    2.8813    0.3734 N   0  0  0  0  0
   15.4849    3.9932    0.8338 C   0  0  0  0  0
   16.4379    3.8929    1.8387 C   0  0  0  0  0
   17.1014    5.0173    2.3411 C   0  0  0  0  0
   16.8121    6.2785    1.8320 C   0  0  0  0  0
   15.8564    6.4111    0.8282 C   0  0  0  0  0
   15.1901    5.2792    0.3298 C   0  0  0  0  0
   14.2238    5.3858   -0.6733 C   0  0  0  0  0
   13.5962    4.2401   -1.1464 C   0  0  0  0  0
    9.2268    1.5065    4.5984 H   0  0  0  0  0
    9.4310    0.2968    3.3195 H   0  0  0  0  0
    8.2136    0.0562    4.5896 H   0  0  0  0  0
    8.1834    2.2993    2.5008 H   0  0  0  0  0
    6.9805    2.0659    3.7848 H   0  0  0  0  0
    6.5699   -0.1427    2.8512 H   0  0  0  0  0
    5.0698   -0.8841    1.4455 H   0  0  0  0  0
    5.3465   -0.2486   -0.1659 H   0  0  0  0  0
    3.1448    0.5272   -0.1910 H   0  0  0  0  0
    2.9382   -0.1961    1.4055 H   0  0  0  0  0
    3.5593    2.6572    0.6943 H   0  0  0  0  0
    2.6350    2.0414    2.0669 H   0  0  0  0  0
    5.0908    2.9477    2.5507 H   0  0  0  0  0
    4.6195    1.3892    3.2516 H   0  0  0  0  0
    6.8445    3.0093    0.7243 H   0  0  0  0  0
    5.6022    2.4024   -0.3703 H   0  0  0  0  0
    8.1252    0.9519    0.1188 H   0  0  0  0  0
    8.3152   -0.8753   -1.5958 H   0  0  0  0  0
    9.6668   -0.0473   -0.8139 H   0  0  0  0  0
   10.6808   -1.7726   -2.1133 H   0  0  0  0  0
    9.6086   -1.5038   -3.4774 H   0  0  0  0  0
   11.8000   -0.6148   -4.0349 H   0  0  0  0  0
   10.9691    1.9937   -4.1508 H   0  0  0  0  0
   10.4328    0.7346   -5.2269 H   0  0  0  0  0
    8.6779    2.2692   -4.0483 H   0  0  0  0  0
    8.3269    0.5677   -4.2979 H   0  0  0  0  0
   16.6727    2.9100    2.2411 H   0  0  0  0  0
   17.8435    4.9020    3.1268 H   0  0  0  0  0
   17.3278    7.1554    2.2149 H   0  0  0  0  0
   15.6346    7.4007    0.4345 H   0  0  0  0  0
   13.9578    6.3519   -1.0947 H   0  0  0  0  0
   12.8494    4.3135   -1.9318 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  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 39  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 40  1  0  0  0
  5 41  1  0  0  0
  6  7  1  0  0  0
  6 42  1  0  0  0
  6 43  1  0  0  0
  7  8  1  0  0  0
  7 44  1  0  0  0
  7 45  1  0  0  0
  8 46  1  0  0  0
  8 47  1  0  0  0
  9 10  1  0  0  0
  9 48  1  0  0  0
  9 49  1  0  0  0
 10 11  1  0  0  0
 10 50  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 18  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 51  1  0  0  0
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 15 16  1  0  0  0
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 19 23  1  0  0  0
 19 20  2  0  0  0
 20 21  1  0  0  0
 21 22  2  0  0  0
 21 24  1  0  0  0
 22 23  1  0  0  0
 24 33  1  0  0  0
 24 25  2  0  0  0
 25 26  1  0  0  0
 26 31  1  0  0  0
 26 27  2  0  0  0
 27 28  1  0  0  0
 27 60  1  0  0  0
 28 29  2  0  0  0
 28 61  1  0  0  0
 29 30  1  0  0  0
 29 62  1  0  0  0
 30 31  2  0  0  0
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 31 32  1  0  0  0
 32 33  2  0  0  0
 32 64  1  0  0  0
 33 65  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1822446

>  <PubChem CID>
56658050

>  <Formula>
C25H32N6O2

>  <Molecular Weight>
448.571000

>  <IUPAC Name>
N-[[1-(ethylamino)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCNC1(CCCC1)CNC(=O)N2CCC(CC2)C3=NC(=NO3)C4=NC5=CC=CC=C5C=C4

>  <Isomeric SMILES>
CCNC1(CCCC1)CNC(=O)N2CCC(CC2)C3=NC(=NO3)C4=NC5=CC=CC=C5C=C4

>  <InChI Std. ID>
InChI=1S/C25H32N6O2/c1-2-27-25(13-5-6-14-25)17-26-24(32)31-15-11-19(12-16-31)23-29-22(30-33-23)21-10-9-18-7-3-4-8-20(18)28-21/h3-4,7-10,19,27H,2,5-6,11-17H2,1H3,(H,26,32)

>  <InChI Key>
CDBHWBWRISTEBO-UHFFFAOYSA-N

