
 CHEMBL543898

 62 64  0  0  0  0  0  0  0  0999 V2000
    8.3114   -0.7848    5.0262 C   0  0  0  0  0
    7.0374   -0.8533    4.2520 C   0  0  0  0  0
    5.7983   -0.4040    4.6654 C   0  0  0  0  0
    4.9258   -0.6586    3.6786 N   0  0  0  0  0
    3.5954   -0.4069    3.6066 C   0  0  0  0  0
    2.9097   -0.7785    2.4459 C   0  0  0  0  0
    3.6088   -1.3995    1.3957 C   0  0  0  0  0
    4.9896   -1.6562    1.4976 C   0  0  0  0  0
    5.6273   -1.2520    2.6919 C   0  0  0  0  0
    6.9319   -1.3829    3.0117 N   0  0  0  0  0
    5.6009   -2.2783    0.4485 O   0  0  0  0  0
    6.8597   -2.8521    0.3460 C   0  0  0  0  0
    6.6892   -4.3130   -0.0190 C   0  0  0  0  0
    7.1270   -4.8191   -1.2669 C   0  0  0  0  0
    6.9505   -6.1710   -1.5733 C   0  0  0  0  0
    6.3283   -7.0289   -0.6707 C   0  0  0  0  0
    5.8635   -6.5517    0.5614 C   0  0  0  0  0
    6.0729   -5.1937    0.9029 C   0  0  0  0  0
    5.6364   -4.6201    2.5219 Cl  0  0  0  0  0
    5.2100   -7.4503    1.4659 N   0  0  0  0  0
    5.8902   -8.6843    1.8377 C   0  0  0  0  0
    3.9530   -7.1985    1.9773 C   0  0  0  0  0
    3.4976   -7.9551    2.8226 O   0  0  0  0  0
    3.0697   -6.0389    1.4843 C   0  0  0  0  0
    1.7914   -6.5286    0.9867 N   0  0  0  0  0
    0.8096   -7.0415    1.7852 C   0  0  0  0  0
   -0.1903   -7.5182    1.2660 O   0  0  0  0  0
    0.9196   -7.0219    3.2719 C   0  0  0  0  0
    0.1233   -7.7613    4.0630 C   0  0  0  0  0
    0.2595   -7.7920    5.5476 C   0  0  0  0  0
   -0.3562   -8.8380    6.2549 C   0  0  0  0  0
   -0.2288   -8.9260    7.6451 C   0  0  0  0  0
    0.4992   -7.9618    8.3452 C   0  0  0  0  0
    1.1030   -6.9084    7.6581 C   0  0  0  0  0
    0.9917   -6.8204    6.2686 C   0  0  0  0  0
    7.9046   -3.7987   -2.4753 Cl  0  0  0  0  0
    5.3762    0.4304    6.3362 Br  0  0  0  0  0
    0.0841    3.8024   -4.7101 Cl  0  0  0  0  0
    9.1417   -1.2280    4.4374 H   0  0  0  0  0
    8.2014   -1.3494    5.9755 H   0  0  0  0  0
    8.5538    0.2741    5.2536 H   0  0  0  0  0
    3.0721    0.0707    4.4252 H   0  0  0  0  0
    1.8475   -0.5916    2.3578 H   0  0  0  0  0
    3.0732   -1.6916    0.5011 H   0  0  0  0  0
    7.4624   -2.8060    1.2651 H   0  0  0  0  0
    7.4164   -2.2854   -0.4236 H   0  0  0  0  0
    7.2900   -6.5587   -2.5256 H   0  0  0  0  0
    6.1890   -8.0690   -0.9387 H   0  0  0  0  0
    6.8940   -8.7623    1.3663 H   0  0  0  0  0
    5.2862   -9.5610    1.5210 H   0  0  0  0  0
    6.0355   -8.7187    2.9397 H   0  0  0  0  0
    3.5587   -5.5087    0.6466 H   0  0  0  0  0
    2.8990   -5.2788    2.2743 H   0  0  0  0  0
    1.6296   -6.4964   -0.0327 H   0  0  0  0  0
    1.6979   -6.4248    3.7171 H   0  0  0  0  0
   -0.6141   -8.4142    3.6026 H   0  0  0  0  0
   -0.9181   -9.5984    5.7271 H   0  0  0  0  0
   -0.6931   -9.7441    8.1786 H   0  0  0  0  0
    0.5951   -8.0310    9.4206 H   0  0  0  0  0
    1.6612   -6.1576    8.2032 H   0  0  0  0  0
    1.4693   -5.9866    5.7765 H   0  0  0  0  0
   -0.3647    2.5756   -4.2788 H   0  0  0  0  0
  1  2  1  0  0  0
  1 39  1  0  0  0
  1 40  1  0  0  0
  1 41  1  0  0  0
  2 10  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 37  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 42  1  0  0  0
  6  7  1  0  0  0
  6 43  1  0  0  0
  7  8  2  0  0  0
  7 44  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 45  1  0  0  0
 12 46  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 36  1  0  0  0
 15 16  2  0  0  0
 15 47  1  0  0  0
 16 17  1  0  0  0
 16 48  1  0  0  0
 17 18  2  0  0  0
 17 20  1  0  0  0
 18 19  1  0  0  0
 20 22  1  0  0  0
 20 21  1  0  0  0
 21 49  1  0  0  0
 21 50  1  0  0  0
 21 51  1  0  0  0
 22 24  1  0  0  0
 22 23  2  0  0  0
 24 25  1  0  0  0
 24 52  1  0  0  0
 24 53  1  0  0  0
 25 26  1  0  0  0
 25 54  1  0  0  0
 26 28  1  0  0  0
 26 27  2  0  0  0
 28 29  2  0  0  0
 28 55  1  0  0  0
 29 30  1  0  0  0
 29 56  1  0  0  0
 30 31  2  0  0  0
 30 35  1  0  0  0
 31 32  1  0  0  0
 31 57  1  0  0  0
 32 33  2  0  0  0
 32 58  1  0  0  0
 33 34  1  0  0  0
 33 59  1  0  0  0
 34 35  2  0  0  0
 34 60  1  0  0  0
 35 61  1  0  0  0
 38 62  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL543898

>  <PubChem CID>
45261954

>  <Formula>
C27H24BrCl3N4O3

>  <Molecular Weight>
638.768000

>  <IUPAC Name>
(Z)-N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]-3-phenylprop-2-enamide;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(N2C=CC=C(C2=N1)OCC3=C(C=CC(=C3Cl)N(C)C(=O)CNC(=O)C=CC4=CC=CC=C4)Cl)Br.Cl

>  <Isomeric SMILES>
CC1=C(N2C=CC=C(C2=N1)OCC3=C(C=CC(=C3Cl)N(C)C(=O)CNC(=O)/C=C\C4=CC=CC=C4)Cl)Br.Cl

>  <InChI Std. ID>
InChI=1S/C27H23BrCl2N4O3.ClH/c1-17-26(28)34-14-6-9-22(27(34)32-17)37-16-19-20(29)11-12-21(25(19)30)33(2)24(36)15-31-23(35)13-10-18-7-4-3-5-8-18;/h3-14H,15-16H2,1-2H3,(H,31,35);1H/b13-10-;

>  <InChI Key>
DIPMJHITBNYZCN-ALUHPYBCSA-N

