
 CHEMBL1822295

 67 72  0  0  0  0  0  0  0  0999 V2000
    2.6636    0.8852    0.2823 C   0  0  0  0  0
    1.2348    0.4690    0.6094 C   0  0  0  0  0
    0.4997    1.7472    1.0066 C   0  0  0  0  0
    1.5878    2.7633    1.4268 C   0  0  0  0  0
    2.6843    2.4054    0.3902 C   0  0  0  0  0
    2.1381    2.4948    2.8635 C   0  0  0  0  0
    1.2289    2.8655    3.9360 N   0  0  0  0  0
    0.3841    1.9714    4.5392 C   0  0  0  0  0
    0.3567    0.7836    4.2313 O   0  0  0  0  0
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   -0.0478    3.7075    6.2911 C   0  0  0  0  0
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   -2.5514    2.3005    6.8154 C   0  0  0  0  0
   -1.3369    1.6012    6.2030 C   0  0  0  0  0
   -1.5724    3.2083    8.9472 C   0  0  0  0  0
   -0.8188    2.1908    9.2876 N   0  0  0  0  0
   -0.4841    2.4826   10.5987 C   0  0  0  0  0
   -1.0219    3.6335   11.0427 N   0  0  0  0  0
   -1.7401    4.1130    9.9518 O   0  0  0  0  0
    0.3881    1.6100   11.3896 C   0  0  0  0  0
    0.6832    1.9993   12.6569 N   0  0  0  0  0
    1.4847    1.2178   13.4007 C   0  0  0  0  0
    1.7964    1.6017   14.6971 C   0  0  0  0  0
    2.6240    0.8255   15.5146 C   0  0  0  0  0
    3.1564   -0.3640   15.0307 C   0  0  0  0  0
    2.8611   -0.7731   13.7322 C   0  0  0  0  0
    2.0289    0.0108   12.9139 C   0  0  0  0  0
    1.7145   -0.3712   11.6061 C   0  0  0  0  0
    0.8863    0.4358   10.8335 C   0  0  0  0  0
    1.1205    4.2219    1.3065 C   0  0  0  0  0
    2.0071    5.2485    0.9405 C   0  0  0  0  0
    1.5749    6.5746    0.8432 C   0  0  0  0  0
    0.2536    6.9036    1.1304 C   0  0  0  0  0
   -0.6363    5.9081    1.5186 C   0  0  0  0  0
   -0.2076    4.5813    1.6056 C   0  0  0  0  0
    3.3576    0.4403    1.0048 H   0  0  0  0  0
    2.9725    0.5493   -0.7126 H   0  0  0  0  0
    1.2297   -0.2561    1.4302 H   0  0  0  0  0
    0.7499   -0.0068   -0.2498 H   0  0  0  0  0
   -0.0462    2.1161    0.1272 H   0  0  0  0  0
   -0.2487    1.5535    1.7800 H   0  0  0  0  0
    2.4446    2.8337   -0.5923 H   0  0  0  0  0
    3.6796    2.7671    0.6713 H   0  0  0  0  0
    3.0377    3.1018    3.0276 H   0  0  0  0  0
    2.4298    1.4478    2.9953 H   0  0  0  0  0
    0.9279    3.8248    3.9257 H   0  0  0  0  0
    0.5557    4.4026    5.7041 H   0  0  0  0  0
    0.5964    3.3607    7.1084 H   0  0  0  0  0
   -0.9360    5.3160    7.4187 H   0  0  0  0  0
   -1.8275    4.8612    5.9674 H   0  0  0  0  0
   -3.1184    4.0936    7.8382 H   0  0  0  0  0
   -3.1208    1.5861    7.4226 H   0  0  0  0  0
   -3.2124    2.6124    5.9957 H   0  0  0  0  0
   -0.7511    1.0751    6.9654 H   0  0  0  0  0
   -1.6921    0.8384    5.4998 H   0  0  0  0  0
    1.3830    2.5312   15.0820 H   0  0  0  0  0
    2.8478    1.1551   16.5258 H   0  0  0  0  0
    3.7998   -0.9716   15.6622 H   0  0  0  0  0
    3.2818   -1.7046   13.3613 H   0  0  0  0  0
    2.1092   -1.2914   11.1825 H   0  0  0  0  0
    0.6393    0.1481    9.8159 H   0  0  0  0  0
    3.0497    5.0346    0.7183 H   0  0  0  0  0
    2.2732    7.3506    0.5401 H   0  0  0  0  0
   -0.0813    7.9345    1.0510 H   0  0  0  0  0
   -1.6680    6.1604    1.7501 H   0  0  0  0  0
   -0.9280    3.8286    1.9201 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  2  3  1  0  0  0
  2 39  1  0  0  0
  2 40  1  0  0  0
  3  4  1  0  0  0
  3 41  1  0  0  0
  3 42  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  4  6  1  0  0  0
  5 43  1  0  0  0
  5 44  1  0  0  0
  6  7  1  0  0  0
  6 45  1  0  0  0
  6 46  1  0  0  0
  7  8  1  0  0  0
  7 47  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 15  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
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 11 49  1  0  0  0
 12 13  1  0  0  0
 12 50  1  0  0  0
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 13 14  1  0  0  0
 13 16  1  0  0  0
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 15 55  1  0  0  0
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 16 20  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
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 18 21  1  0  0  0
 19 20  1  0  0  0
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 21 22  2  0  0  0
 22 23  1  0  0  0
 23 28  1  0  0  0
 23 24  2  0  0  0
 24 25  1  0  0  0
 24 57  1  0  0  0
 25 26  2  0  0  0
 25 58  1  0  0  0
 26 27  1  0  0  0
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 27 28  2  0  0  0
 27 60  1  0  0  0
 28 29  1  0  0  0
 29 30  2  0  0  0
 29 61  1  0  0  0
 30 62  1  0  0  0
 31 32  2  0  0  0
 31 36  1  0  0  0
 32 33  1  0  0  0
 32 63  1  0  0  0
 33 34  2  0  0  0
 33 64  1  0  0  0
 34 35  1  0  0  0
 34 65  1  0  0  0
 35 36  2  0  0  0
 35 66  1  0  0  0
 36 67  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1822295

>  <PubChem CID>
56668711

>  <Formula>
C29H31N5O2

>  <Molecular Weight>
481.600000

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

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CCC(C1)(CNC(=O)N2CCC(CC2)C3=NC(=NO3)C4=NC5=CC=CC=C5C=C4)C6=CC=CC=C6

>  <Isomeric SMILES>
C1CCC(C1)(CNC(=O)N2CCC(CC2)C3=NC(=NO3)C4=NC5=CC=CC=C5C=C4)C6=CC=CC=C6

>  <InChI Std. ID>
InChI=1S/C29H31N5O2/c35-28(30-20-29(16-6-7-17-29)23-9-2-1-3-10-23)34-18-14-22(15-19-34)27-32-26(33-36-27)25-13-12-21-8-4-5-11-24(21)31-25/h1-5,8-13,22H,6-7,14-20H2,(H,30,35)

>  <InChI Key>
BRHTTYOSDMXFKQ-UHFFFAOYSA-N

