
 CHEMBL3704559

 61 65  0  0  0  0  0  0  0  0999 V2000
    3.2895   -1.1758    4.2155 C   0  0  0  0  0
    3.5872   -2.3793    3.4140 C   0  0  0  0  0
    3.7842   -3.7043    3.7366 C   0  0  0  0  0
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    3.8978   -3.4358    1.5170 C   0  0  0  0  0
    3.6936   -2.2026    2.0671 O   0  0  0  0  0
    4.0036   -3.5217    0.0204 C   0  0  0  0  0
    2.9993   -2.5910   -0.6958 C   0  0  0  0  0
    3.3616   -1.1024   -0.8895 C   0  0  0  0  0
    3.0850   -1.1887   -2.3120 O   0  0  0  0  0
    3.0826   -2.6379   -2.2365 C   0  0  0  0  0
    1.5446   -2.7727   -0.2315 C   0  0  0  0  0
    5.3933   -3.2788   -0.4133 N   0  0  0  0  0
    6.2803   -4.2205   -0.6770 C   0  0  0  0  0
    7.6363   -4.2707   -0.9072 C   0  0  0  0  0
    7.6117   -5.7465   -1.0324 C   0  0  0  0  0
    8.3690   -6.6833   -1.1156 O   0  0  0  0  0
    6.1405   -5.6867   -0.8487 C   0  0  0  0  0
    5.2762   -6.5275   -0.8005 O   0  0  0  0  0
    8.5949   -3.3695   -0.9409 N   0  0  0  0  0
    9.9177   -3.3907   -1.4406 C   0  0  0  0  0
   10.7419   -2.2953   -1.1236 C   0  0  0  0  0
   12.0322   -2.1807   -1.6388 C   0  0  0  0  0
   12.5362   -3.1783   -2.4662 C   0  0  0  0  0
   11.7853   -4.3291   -2.7121 C   0  0  0  0  0
   10.4713   -4.4222   -2.2065 C   0  0  0  0  0
   12.2733   -5.4155   -3.6073 C   0  0  0  0  0
   11.4635   -5.9041   -4.3958 O   0  0  0  0  0
   13.5837   -5.8687   -3.5355 N   0  0  0  0  0
   14.0061   -6.9810   -4.3756 C   0  0  0  0  0
   15.2166   -7.5673   -3.6679 C   0  0  0  0  0
   15.8539   -6.3463   -3.0204 C   0  0  0  0  0
   14.6455   -5.5003   -2.6045 C   0  0  0  0  0
   16.6837   -6.6993   -1.9275 O   0  0  0  0  0
    2.7751   -1.4459    5.1433 H   0  0  0  0  0
    2.6419   -0.4890    3.6613 H   0  0  0  0  0
    4.2130   -0.6498    4.4734 H   0  0  0  0  0
    3.7698   -4.1282    4.7314 H   0  0  0  0  0
    4.1635   -5.4439    2.3696 H   0  0  0  0  0
    3.7183   -4.5457   -0.2552 H   0  0  0  0  0
    4.4004   -0.8043   -0.7220 H   0  0  0  0  0
    2.7071   -0.3777   -0.3960 H   0  0  0  0  0
    2.2178   -3.0680   -2.7524 H   0  0  0  0  0
    3.9937   -3.0512   -2.6800 H   0  0  0  0  0
    0.8507   -2.1809   -0.8407 H   0  0  0  0  0
    1.4081   -2.4446    0.8039 H   0  0  0  0  0
    1.2377   -3.8211   -0.3024 H   0  0  0  0  0
    5.7160   -2.3543   -0.1313 H   0  0  0  0  0
    8.3298   -2.4092   -0.7252 H   0  0  0  0  0
   10.3687   -1.4934   -0.4900 H   0  0  0  0  0
   12.6293   -1.2994   -1.4191 H   0  0  0  0  0
   13.4966   -3.0190   -2.9413 H   0  0  0  0  0
    9.8836   -5.2935   -2.4798 H   0  0  0  0  0
   14.2770   -6.5722   -5.3554 H   0  0  0  0  0
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   15.8969   -8.0856   -4.3506 H   0  0  0  0  0
   16.4588   -5.8040   -3.7573 H   0  0  0  0  0
   14.3156   -5.6999   -1.5801 H   0  0  0  0  0
   14.9047   -4.4452   -2.6933 H   0  0  0  0  0
   16.1572   -7.2249   -1.3004 H   0  0  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3 38  1  0  0  0
  4  5  2  0  0  0
  4 39  1  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  7 13  1  0  0  0
  7  8  1  0  0  0
  7 40  1  0  0  0
  8 11  1  0  0  0
  8  9  1  0  0  0
  8 12  1  0  0  0
  9 10  1  0  0  0
  9 41  1  0  0  0
  9 42  1  0  0  0
 10 11  1  0  0  0
 11 43  1  0  0  0
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 34 61  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3704559

>  <PubChem CID>
71525607

>  <Formula>
C25H27N3O6

>  <Molecular Weight>
465.506000

>  <IUPAC Name>
3-[3-(3-hydroxypyrrolidine-1-carbonyl)anilino]-4-[[(5-methylfuran-2-yl)-(3-methyloxetan-3-yl)methyl]amino]cyclobut-3-ene-1,2-dione

>  <XlogP>
1.8

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1=CC=C(O1)C(C2(COC2)C)NC3=C(C(=O)C3=O)NC4=CC=CC(=C4)C(=O)N5CCC(C5)O

>  <Isomeric SMILES>
CC1=CC=C(O1)C(C2(COC2)C)NC3=C(C(=O)C3=O)NC4=CC=CC(=C4)C(=O)N5CCC(C5)O

>  <InChI Std. ID>
InChI=1S/C25H27N3O6/c1-14-6-7-18(34-14)23(25(2)12-33-13-25)27-20-19(21(30)22(20)31)26-16-5-3-4-15(10-16)24(32)28-9-8-17(29)11-28/h3-7,10,17,23,26-27,29H,8-9,11-13H2,1-2H3

>  <InChI Key>
HYFWWMDGIYIRBQ-UHFFFAOYSA-N

