
 CHEMBL242901

 82 85  0  0  0  0  0  0  0  0999 V2000
   10.5710    1.3715    0.9460 C   0  0  0  0  0
    9.7188    2.1536    1.9465 C   0  0  0  0  0
    9.4032    3.6597    1.6168 C   0  0  0  0  0
    8.4388    4.2789    2.6957 C   0  0  0  0  0
    8.0452    5.6323    2.6120 C   0  0  0  0  0
    7.1962    6.2115    3.5607 C   0  0  0  0  0
    6.7236    5.4576    4.6274 C   0  0  0  0  0
    7.0999    4.1252    4.7437 C   0  0  0  0  0
    7.9442    3.5431    3.7908 C   0  0  0  0  0
   10.7728    4.4115    1.5766 C   0  0  0  0  0
   11.3205    4.9840    2.7408 C   0  0  0  0  0
   12.5457    5.6554    2.7112 C   0  0  0  0  0
   13.2635    5.7511    1.5235 C   0  0  0  0  0
   12.7649    5.1618    0.3671 C   0  0  0  0  0
   11.5403    4.4904    0.3960 C   0  0  0  0  0
    8.6299    3.7061    0.2379 C   0  0  0  0  0
    7.9984    2.7490   -0.2121 O   0  0  0  0  0
    8.6595    4.9192   -0.4318 N   0  0  0  0  0
    8.0905    5.0834   -1.7520 C   0  0  0  0  0
    8.2241    6.5153   -2.2706 C   0  0  0  0  0
    9.6794    6.8752   -2.6137 C   0  0  0  0  0
    9.8877    8.2870   -2.9971 N   0  0  0  0  0
    9.0989    8.6643   -4.1817 C   0  0  0  0  0
    9.3684   10.1136   -4.6016 C   0  0  0  0  0
   10.8566   10.3476   -4.9316 C   0  0  0  0  0
   11.6287    9.9589   -3.6547 C   0  0  0  0  0
   11.3275    8.5217   -3.2207 C   0  0  0  0  0
   11.3617    9.6896   -6.2236 C   0  0  0  0  0
   10.4784    9.3563   -7.2705 C   0  0  0  0  0
   10.9181    8.7765   -8.4655 C   0  0  0  0  0
   12.2849    8.5547   -8.6422 C   0  0  0  0  0
   13.1868    8.9022   -7.6381 C   0  0  0  0  0
   12.7301    9.4715   -6.4466 C   0  0  0  0  0
   10.0527    8.4060   -9.5183 N   0  0  0  0  0
    8.6656    8.3886   -9.5066 C   0  0  0  0  0
    7.9443    8.7074   -8.5671 O   0  0  0  0  0
    8.0798    7.9348  -10.8435 C   0  0  0  0  0
    6.6791    7.3560  -10.6584 C   0  0  0  0  0
    8.0604    9.1012  -11.8288 C   0  0  0  0  0
   10.7417    0.3594    1.3303 H   0  0  0  0  0
   11.5542    1.8197    0.7918 H   0  0  0  0  0
   10.0741    1.2703   -0.0224 H   0  0  0  0  0
   10.2285    2.0922    2.9182 H   0  0  0  0  0
    8.7799    1.5928    2.0460 H   0  0  0  0  0
    8.4031    6.2729    1.8118 H   0  0  0  0  0
    6.9084    7.2552    3.4637 H   0  0  0  0  0
    6.0656    5.9065    5.3661 H   0  0  0  0  0
    6.7361    3.5301    5.5778 H   0  0  0  0  0
    8.2000    2.4984    3.9430 H   0  0  0  0  0
   10.7983    4.9184    3.6939 H   0  0  0  0  0
   12.9395    6.1001    3.6217 H   0  0  0  0  0
   14.2170    6.2717    1.5036 H   0  0  0  0  0
   13.3332    5.2143   -0.5580 H   0  0  0  0  0
   11.2014    4.0162   -0.5240 H   0  0  0  0  0
    9.2440    5.6582   -0.0606 H   0  0  0  0  0
    7.0327    4.8037   -1.6934 H   0  0  0  0  0
    8.5818    4.3731   -2.4270 H   0  0  0  0  0
    7.8281    7.2189   -1.5284 H   0  0  0  0  0
    7.6029    6.5971   -3.1694 H   0  0  0  0  0
   10.0374    6.2064   -3.4074 H   0  0  0  0  0
   10.2982    6.6773   -1.7301 H   0  0  0  0  0
    8.0297    8.5980   -3.9536 H   0  0  0  0  0
    9.2968    7.9783   -5.0140 H   0  0  0  0  0
    8.7099   10.3985   -5.4281 H   0  0  0  0  0
    9.0815   10.7766   -3.7729 H   0  0  0  0  0
   10.9922   11.4267   -5.0889 H   0  0  0  0  0
   12.7086   10.0957   -3.7644 H   0  0  0  0  0
   11.3326   10.6392   -2.8435 H   0  0  0  0  0
   11.7249    7.8210   -3.9658 H   0  0  0  0  0
   11.8694    8.3371   -2.2844 H   0  0  0  0  0
    9.4240    9.5686   -7.1565 H   0  0  0  0  0
   12.6677    8.1103   -9.5569 H   0  0  0  0  0
   14.2511    8.7346   -7.7835 H   0  0  0  0  0
   13.4729    9.7506   -5.7047 H   0  0  0  0  0
   10.5080    8.0459  -10.3521 H   0  0  0  0  0
    8.7228    7.1407  -11.2431 H   0  0  0  0  0
    5.9815    8.1035  -10.2643 H   0  0  0  0  0
    6.6980    6.5197   -9.9506 H   0  0  0  0  0
    6.2811    6.9876  -11.6092 H   0  0  0  0  0
    7.2272    9.7825  -11.6200 H   0  0  0  0  0
    7.9412    8.7324  -12.8531 H   0  0  0  0  0
    8.9830    9.6892  -11.7861 H   0  0  0  0  0
  1  2  1  0  0  0
  1 40  1  0  0  0
  1 41  1  0  0  0
  1 42  1  0  0  0
  2  3  1  0  0  0
  2 43  1  0  0  0
  2 44  1  0  0  0
  3 16  1  0  0  0
  3 10  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 45  1  0  0  0
  6  7  2  0  0  0
  6 46  1  0  0  0
  7  8  1  0  0  0
  7 47  1  0  0  0
  8  9  2  0  0  0
  8 48  1  0  0  0
  9 49  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
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 12 13  2  0  0  0
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 13 14  1  0  0  0
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 14 15  2  0  0  0
 14 53  1  0  0  0
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 16 18  1  0  0  0
 16 17  2  0  0  0
 18 19  1  0  0  0
 18 55  1  0  0  0
 19 20  1  0  0  0
 19 56  1  0  0  0
 19 57  1  0  0  0
 20 21  1  0  0  0
 20 58  1  0  0  0
 20 59  1  0  0  0
 21 22  1  0  0  0
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 22 27  1  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
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 24 25  1  0  0  0
 24 64  1  0  0  0
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 28 29  2  0  0  0
 28 33  1  0  0  0
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 30 34  1  0  0  0
 31 32  1  0  0  0
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 32 33  2  0  0  0
 32 73  1  0  0  0
 33 74  1  0  0  0
 34 35  1  0  0  0
 34 75  1  0  0  0
 35 37  1  0  0  0
 35 36  2  0  0  0
 37 39  1  0  0  0
 37 38  1  0  0  0
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 39 82  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL242901

>  <PubChem CID>
16755970

>  <Formula>
C34H43N3O2

>  <Molecular Weight>
525.737000

>  <IUPAC Name>
N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]propyl]-2,2-diphenylbutanamide

>  <XlogP>
6.400

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)NCCCN3CCC(CC3)C4=CC(=CC=C4)NC(=O)C(C)C

>  <Isomeric SMILES>
CCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)NCCCN3CCC(CC3)C4=CC(=CC=C4)NC(=O)C(C)C

>  <InChI Std. ID>
InChI=1S/C34H43N3O2/c1-4-34(29-14-7-5-8-15-29,30-16-9-6-10-17-30)33(39)35-21-12-22-37-23-19-27(20-24-37)28-13-11-18-31(25-28)36-32(38)26(2)3/h5-11,13-18,25-27H,4,12,19-24H2,1-3H3,(H,35,39)(H,36,38)

>  <InChI Key>
GDXCCQORISFUQU-UHFFFAOYSA-N

