
 CHEMBL3701184

 60 63  0  0  0  0  0  0  0  0999 V2000
    6.7576    1.5866    1.3998 C   0  0  0  0  0
    5.7809    0.4807    1.7577 C   0  0  0  0  0
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    5.2251    1.4062   -1.2180 N   0  0  0  0  0
    5.9419    1.3706   -2.3309 C   0  0  0  0  0
    6.3162    2.2723   -3.3075 C   0  0  0  0  0
    7.0916    1.2349   -4.0296 C   0  0  0  0  0
    7.7696    1.0790   -5.0204 O   0  0  0  0  0
    6.6896    0.2763   -2.9826 C   0  0  0  0  0
    6.9620   -0.8838   -2.8149 O   0  0  0  0  0
    6.1278    3.5571   -3.5472 N   0  0  0  0  0
    6.8684    4.3964   -4.4240 C   0  0  0  0  0
    7.3263    3.9852   -5.6760 C   0  0  0  0  0
    8.2602    4.7477   -6.3779 C   0  0  0  0  0
    8.7227    5.9558   -5.8521 C   0  0  0  0  0
    8.1826    6.4648   -4.6664 C   0  0  0  0  0
    7.2765    5.6587   -3.9472 C   0  0  0  0  0
    6.7698    6.0224   -2.7148 O   0  0  0  0  0
    8.6237    7.7588   -4.0726 C   0  0  0  0  0
    8.5456    7.8388   -2.8420 O   0  0  0  0  0
    9.0824    8.8296   -4.8425 N   0  0  0  0  0
    9.5635   10.0023   -4.1254 C   0  0  0  0  0
    8.8657    9.0285   -6.2713 C   0  0  0  0  0
    7.2050    1.9951    2.3121 H   0  0  0  0  0
    6.2531    2.4168    0.8988 H   0  0  0  0  0
    7.5657    1.2285    0.7561 H   0  0  0  0  0
    4.9008    0.9148    2.2440 H   0  0  0  0  0
    6.2628   -0.1400    2.5256 H   0  0  0  0  0
    7.4865   -1.1760    0.3470 H   0  0  0  0  0
    6.3539   -1.8996   -0.8319 H   0  0  0  0  0
    3.9720   -2.2136    0.4328 H   0  0  0  0  0
    4.2060   -1.6222    2.0997 H   0  0  0  0  0
    4.4012   -0.5076   -1.3677 H   0  0  0  0  0
    3.2374    2.5638    0.9509 H   0  0  0  0  0
    0.5840    2.0645    1.3297 H   0  0  0  0  0
   -0.0074   -1.4504   -0.5715 H   0  0  0  0  0
   -0.9977   -0.0108   -0.2783 H   0  0  0  0  0
   -0.4541   -1.0076    1.0859 H   0  0  0  0  0
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    5.7357    4.1519   -2.8105 H   0  0  0  0  0
    6.9857    3.0532   -6.1154 H   0  0  0  0  0
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    9.5166    6.4774   -6.3793 H   0  0  0  0  0
    7.3061    6.7889   -2.4021 H   0  0  0  0  0
    9.9466    9.7398   -3.1356 H   0  0  0  0  0
    8.7302   10.7005   -4.0105 H   0  0  0  0  0
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    8.2208    8.2721   -6.7136 H   0  0  0  0  0
    9.8405    9.0353   -6.7655 H   0  0  0  0  0
    8.3821    9.9981   -6.4227 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
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  2 38  1  0  0  0
  3  6  1  0  0  0
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  4 39  1  0  0  0
  4 40  1  0  0  0
  5  6  1  0  0  0
  6 41  1  0  0  0
  6 42  1  0  0  0
  7 14  1  0  0  0
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  8  9  2  0  0  0
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  9 10  1  0  0  0
  9 44  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3701184

>  <PubChem CID>
71526603

>  <Formula>
C24H27N3O6

>  <Molecular Weight>
453.495000

>  <IUPAC Name>
3-[[2-[[(3-ethyloxetan-3-yl)-(5-methylfuran-2-yl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CCC1(COC1)C(C2=CC=C(O2)C)NC3=C(C(=O)C3=O)NC4=CC=CC(=C4O)C(=O)N(C)C

>  <Isomeric SMILES>
CCC1(COC1)C(C2=CC=C(O2)C)NC3=C(C(=O)C3=O)NC4=CC=CC(=C4O)C(=O)N(C)C

>  <InChI Std. ID>
InChI=1S/C24H27N3O6/c1-5-24(11-32-12-24)22(16-10-9-13(2)33-16)26-18-17(20(29)21(18)30)25-15-8-6-7-14(19(15)28)23(31)27(3)4/h6-10,22,25-26,28H,5,11-12H2,1-4H3

>  <InChI Key>
DNAPDJCKXPGKFH-UHFFFAOYSA-N

