
 CHEMBL542473

 64 66  0  0  0  0  0  0  0  0999 V2000
   13.8151   -8.2070   -4.0652 C   0  0  0  0  0
   13.9598   -7.9772   -2.5954 C   0  0  0  0  0
   15.1354   -8.0000   -1.8598 C   0  0  0  0  0
   14.8138   -7.7698   -0.5782 N   0  0  0  0  0
   15.5990   -7.7053    0.5263 C   0  0  0  0  0
   14.9894   -7.4631    1.7640 C   0  0  0  0  0
   13.5938   -7.2847    1.8308 C   0  0  0  0  0
   12.8102   -7.3417    0.6515 C   0  0  0  0  0
   13.4801   -7.6004   -0.5464 C   0  0  0  0  0
   12.9170   -7.7200   -1.7683 N   0  0  0  0  0
   11.4650   -7.1411    0.6445 O   0  0  0  0  0
   10.6520   -7.1435    1.7632 C   0  0  0  0  0
    9.2739   -6.6341    1.3908 C   0  0  0  0  0
    9.1255   -5.2744    1.0343 C   0  0  0  0  0
    7.8674   -4.7609    0.7357 C   0  0  0  0  0
    6.7456   -5.5790    0.7664 C   0  0  0  0  0
    6.8492   -6.9446    1.0919 C   0  0  0  0  0
    8.1290   -7.4775    1.4187 C   0  0  0  0  0
    8.3007   -9.1619    1.9279 Cl  0  0  0  0  0
    5.6533   -7.7513    1.0848 N   0  0  0  0  0
    5.5980   -8.9188    0.2017 C   0  0  0  0  0
    4.5436   -7.3258    1.7896 C   0  0  0  0  0
    4.6061   -6.3005    2.4564 O   0  0  0  0  0
    3.2262   -8.0735    1.7978 C   0  0  0  0  0
    3.3123   -9.3225    2.5386 N   0  0  0  0  0
    2.1998  -10.0838    2.7530 C   0  0  0  0  0
    1.1396   -9.7386    2.2547 O   0  0  0  0  0
    2.2663  -11.1805    3.5737 N   0  0  0  0  0
    1.1584  -12.0282    3.9384 C   0  0  0  0  0
   -0.0534  -12.0903    3.2065 C   0  0  0  0  0
   -1.1098  -12.9089    3.6257 C   0  0  0  0  0
   -0.9609  -13.6891    4.7876 C   0  0  0  0  0
    0.2346  -13.6532    5.5047 C   0  0  0  0  0
    1.2866  -12.8366    5.0832 C   0  0  0  0  0
   -2.2521  -12.9135    2.8873 O   0  0  0  0  0
   -3.4339  -13.5292    3.2448 C   0  0  0  0  0
   10.5025   -4.1732    0.9927 Cl  0  0  0  0  0
   16.9096   -8.3122   -2.5126 Br  0  0  0  0  0
   -2.5074   -4.5418    7.2368 Cl  0  0  0  0  0
   13.3505   -7.3177   -4.5373 H   0  0  0  0  0
   13.1690   -9.0929   -4.2369 H   0  0  0  0  0
   14.8005   -8.3918   -4.5406 H   0  0  0  0  0
   16.6702   -7.8424    0.4582 H   0  0  0  0  0
   15.5881   -7.4097    2.6636 H   0  0  0  0  0
   13.1454   -7.0935    2.7943 H   0  0  0  0  0
   11.0414   -6.4679    2.5545 H   0  0  0  0  0
   10.6526   -8.1672    2.1832 H   0  0  0  0  0
    7.7571   -3.7147    0.4786 H   0  0  0  0  0
    5.7841   -5.1492    0.5160 H   0  0  0  0  0
    6.3318   -9.6921    0.4608 H   0  0  0  0  0
    5.7961   -8.5871   -0.8412 H   0  0  0  0  0
    4.6190   -9.4292    0.1902 H   0  0  0  0  0
    2.8541   -8.2322    0.7624 H   0  0  0  0  0
    2.4762   -7.4350    2.3164 H   0  0  0  0  0
    4.2106   -9.6047    2.9629 H   0  0  0  0  0
    3.1694  -11.3659    4.0370 H   0  0  0  0  0
   -0.2068  -11.5269    2.3039 H   0  0  0  0  0
   -1.7600  -14.3284    5.1384 H   0  0  0  0  0
    0.3453  -14.2580    6.3961 H   0  0  0  0  0
    2.2003  -12.8161    5.6638 H   0  0  0  0  0
   -4.1788  -13.3724    2.4378 H   0  0  0  0  0
   -3.2865  -14.6211    3.3780 H   0  0  0  0  0
   -3.8273  -13.0752    4.1795 H   0  0  0  0  0
   -3.1859   -3.9166    6.2164 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 10  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 38  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 43  1  0  0  0
  6  7  1  0  0  0
  6 44  1  0  0  0
  7  8  2  0  0  0
  7 45  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 46  1  0  0  0
 12 47  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 37  1  0  0  0
 15 16  2  0  0  0
 15 48  1  0  0  0
 16 17  1  0  0  0
 16 49  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 50  1  0  0  0
 21 51  1  0  0  0
 21 52  1  0  0  0
 22 24  1  0  0  0
 22 23  2  0  0  0
 24 25  1  0  0  0
 24 53  1  0  0  0
 24 54  1  0  0  0
 25 26  1  0  0  0
 25 55  1  0  0  0
 26 28  1  0  0  0
 26 27  2  0  0  0
 28 29  1  0  0  0
 28 56  1  0  0  0
 29 30  2  0  0  0
 29 34  1  0  0  0
 30 31  1  0  0  0
 30 57  1  0  0  0
 31 32  2  0  0  0
 31 35  1  0  0  0
 32 33  1  0  0  0
 32 58  1  0  0  0
 33 34  2  0  0  0
 33 59  1  0  0  0
 34 60  1  0  0  0
 35 36  1  0  0  0
 36 61  1  0  0  0
 36 62  1  0  0  0
 36 63  1  0  0  0
 39 64  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL542473

>  <PubChem CID>
18923361

>  <Formula>
C26H25BrCl3N5O4

>  <Molecular Weight>
657.771000

>  <IUPAC Name>
N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-2-[(3-methoxyphenyl)carbamoylamino]-N-methylacetamide;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(N2C=CC=C(C2=N1)OCC3=C(C=CC(=C3Cl)N(C)C(=O)CNC(=O)NC4=CC(=CC=C4)OC)Cl)Br.Cl

>  <Isomeric SMILES>
CC1=C(N2C=CC=C(C2=N1)OCC3=C(C=CC(=C3Cl)N(C)C(=O)CNC(=O)NC4=CC(=CC=C4)OC)Cl)Br.Cl

>  <InChI Std. ID>
InChI=1S/C26H24BrCl2N5O4.ClH/c1-15-24(27)34-11-5-8-21(25(34)31-15)38-14-18-19(28)9-10-20(23(18)29)33(2)22(35)13-30-26(36)32-16-6-4-7-17(12-16)37-3;/h4-12H,13-14H2,1-3H3,(H2,30,32,36);1H

>  <InChI Key>
ADGVNKJNHPHUCL-UHFFFAOYSA-N

