
 CHEMBL3263679

 61 64  0  0  0  0  0  0  0  0999 V2000
    3.3704    4.0272    5.1640 C   0  0  0  0  0
    2.1018    3.2209    5.4158 C   0  0  0  0  0
    2.2026    2.1006    4.4110 C   0  0  0  0  0
    1.5350    1.0782    4.4243 O   0  0  0  0  0
    3.1348    2.4732    3.4560 N   0  0  0  0  0
    3.6760    3.7858    3.6983 C   0  0  0  0  0
    3.4296    1.7078    2.2565 C   0  0  0  0  0
    4.7299    0.9227    2.3945 C   0  0  0  0  0
    5.0127    0.0966    1.1445 C   0  0  0  0  0
    6.2582   -0.6325    1.2749 N   0  0  0  0  0
    6.4957   -1.8119    0.5986 C   0  0  0  0  0
    5.6617   -2.3888   -0.0882 O   0  0  0  0  0
    7.8551   -2.3934    0.7694 C   0  0  0  0  0
    8.9763   -1.5774    0.9195 C   0  0  0  0  0
   10.2551   -2.1286    1.0914 C   0  0  0  0  0
   10.4439   -3.5395    1.0965 C   0  0  0  0  0
    9.2919   -4.3328    0.9217 C   0  0  0  0  0
    8.0169   -3.7749    0.7534 C   0  0  0  0  0
   11.6961   -4.1336    1.2643 N   0  0  0  0  0
   12.5871   -3.7490    2.3788 C   0  0  0  0  0
   12.9736   -4.9451    3.2791 C   0  0  0  0  0
   13.4228   -6.1435    2.5460 N   0  0  0  0  0
   12.3600   -6.5217    1.5937 C   0  0  0  0  0
   12.0349   -5.3994    0.5849 C   0  0  0  0  0
   11.3838   -1.2845    1.1931 N   0  0  0  0  0
   11.4114    0.0350    1.6068 C   0  0  0  0  0
   10.4227    0.7122    1.8753 O   0  0  0  0  0
   12.7559    0.5512    1.7772 C   0  0  0  0  0
   13.1972    1.7569    2.2890 C   0  0  0  0  0
   14.6105    1.7203    2.2583 C   0  0  0  0  0
   14.9486    0.5003    1.7222 C   0  0  0  0  0
   13.8355   -0.2230    1.4353 O   0  0  0  0  0
    3.2557    5.0879    5.4052 H   0  0  0  0  0
    4.1835    3.6285    5.7835 H   0  0  0  0  0
    1.2034    3.8078    5.2012 H   0  0  0  0  0
    2.0662    2.8321    6.4363 H   0  0  0  0  0
    4.7495    3.8111    3.4921 H   0  0  0  0  0
    3.1548    4.4987    3.0512 H   0  0  0  0  0
    3.4755    2.4038    1.4116 H   0  0  0  0  0
    2.6009    1.0144    2.0738 H   0  0  0  0  0
    4.6756    0.2623    3.2697 H   0  0  0  0  0
    5.5644    1.6099    2.5832 H   0  0  0  0  0
    5.1151    0.7460    0.2672 H   0  0  0  0  0
    4.1963   -0.6072    0.9497 H   0  0  0  0  0
    7.0020   -0.2094    1.8156 H   0  0  0  0  0
    8.8527   -0.5045    0.8272 H   0  0  0  0  0
    9.3570   -5.4176    0.9449 H   0  0  0  0  0
    7.1530   -4.4237    0.6208 H   0  0  0  0  0
   12.1391   -2.9837    3.0220 H   0  0  0  0  0
   13.5040   -3.3282    1.9468 H   0  0  0  0  0
   13.7791   -4.6316    3.9539 H   0  0  0  0  0
   12.1237   -5.2164    3.9163 H   0  0  0  0  0
   14.2557   -5.8969    2.0103 H   0  0  0  0  0
   12.6860   -7.4149    1.0496 H   0  0  0  0  0
   11.4587   -6.8039    2.1524 H   0  0  0  0  0
   12.9200   -5.2149   -0.0360 H   0  0  0  0  0
   11.2553   -5.7403   -0.1054 H   0  0  0  0  0
   12.2805   -1.7398    1.0738 H   0  0  0  0  0
   12.5603    2.5533    2.6518 H   0  0  0  0  0
   15.2961    2.4889    2.5862 H   0  0  0  0  0
   15.8916    0.0214    1.4964 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  2 36  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  6 37  1  0  0  0
  6 38  1  0  0  0
  7  8  1  0  0  0
  7 39  1  0  0  0
  7 40  1  0  0  0
  8  9  1  0  0  0
  8 41  1  0  0  0
  8 42  1  0  0  0
  9 10  1  0  0  0
  9 43  1  0  0  0
  9 44  1  0  0  0
 10 11  1  0  0  0
 10 45  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 46  1  0  0  0
 15 16  2  0  0  0
 15 25  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
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 19 24  1  0  0  0
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 21 22  1  0  0  0
 21 51  1  0  0  0
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 22 23  1  0  0  0
 22 53  1  0  0  0
 23 24  1  0  0  0
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 23 55  1  0  0  0
 24 56  1  0  0  0
 24 57  1  0  0  0
 25 26  1  0  0  0
 25 58  1  0  0  0
 26 28  1  0  0  0
 26 27  2  0  0  0
 28 29  2  0  0  0
 28 32  1  0  0  0
 29 30  1  0  0  0
 29 59  1  0  0  0
 30 31  2  0  0  0
 30 60  1  0  0  0
 31 32  1  0  0  0
 31 61  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3263679

>  <PubChem CID>
71233941

>  <Formula>
C23H29N5O4

>  <Molecular Weight>
439.516000

>  <IUPAC Name>
N-[5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]-2-piperazin-1-ylphenyl]furan-2-carboxamide

>  <XlogP>
0.8

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CC(=O)N(C1)CCCNC(=O)C2=CC(=C(C=C2)N3CCNCC3)NC(=O)C4=CC=CO4

>  <Isomeric SMILES>
C1CC(=O)N(C1)CCCNC(=O)C2=CC(=C(C=C2)N3CCNCC3)NC(=O)C4=CC=CO4

>  <InChI Std. ID>
InChI=1S/C23H29N5O4/c29-21-5-1-11-28(21)12-3-8-25-22(30)17-6-7-19(27-13-9-24-10-14-27)18(16-17)26-23(31)20-4-2-15-32-20/h2,4,6-7,15-16,24H,1,3,5,8-14H2,(H,25,30)(H,26,31)

>  <InChI Key>
UIHPWLDNLOKCAZ-UHFFFAOYSA-N

