
 CHEMBL556816

 58 61  0  0  0  0  0  0  0  0999 V2000
   13.6913   -5.2576   -1.9162 C   0  0  0  0  0
   12.7737   -4.1535   -1.5542 C   0  0  0  0  0
   13.0398   -2.8151   -1.3627 C   0  0  0  0  0
   11.8431   -2.2231   -1.0385 N   0  0  0  0  0
   11.5479   -0.8931   -0.7430 C   0  0  0  0  0
   10.2833   -0.5470   -0.4540 C   0  0  0  0  0
    9.2531   -1.5750   -0.4598 C   0  0  0  0  0
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   10.8866   -3.2394   -1.0505 C   0  0  0  0  0
   11.4338   -4.4018   -1.3586 N   0  0  0  0  0
    8.6522   -3.9225   -0.7748 O   0  0  0  0  0
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    6.0379   -5.4704   -1.7864 C   0  0  0  0  0
    5.4199   -6.7217   -1.8616 C   0  0  0  0  0
    5.2918   -7.5121   -0.7231 C   0  0  0  0  0
    5.7650   -7.0512    0.5088 C   0  0  0  0  0
    6.4025   -5.7894    0.5839 C   0  0  0  0  0
    7.1455   -5.2995    2.0835 Cl  0  0  0  0  0
    5.5886   -7.8845    1.6547 N   0  0  0  0  0
    6.0755   -9.2564    1.5667 C   0  0  0  0  0
    4.7635   -7.4400    2.6920 C   0  0  0  0  0
    4.1396   -6.3718    2.6588 O   0  0  0  0  0
    4.5905   -8.3927    3.8819 C   0  0  0  0  0
    3.8586   -7.6997    4.9266 N   0  0  0  0  0
    4.1960   -7.8452    6.2478 C   0  0  0  0  0
    4.9274   -8.7498    6.6327 O   0  0  0  0  0
    3.6540   -6.8416    7.0184 N   0  0  0  0  0
    3.8435   -6.6710    8.4045 C   0  0  0  0  0
    3.6540   -5.3890    8.9312 C   0  0  0  0  0
    3.8883   -5.1508   10.2863 C   0  0  0  0  0
    4.2769   -6.1856   11.1329 C   0  0  0  0  0
    4.4274   -7.4715   10.6204 C   0  0  0  0  0
    4.2133   -7.7118    9.2603 C   0  0  0  0  0
    3.7144   -3.5561   10.9127 Cl  0  0  0  0  0
    6.1625   -4.5793   -3.2651 Cl  0  0  0  0  0
   14.7062   -1.9885   -1.5196 Br  0  0  0  0  0
   13.1546   -6.2094   -1.9741 H   0  0  0  0  0
   14.4833   -5.3619   -1.1677 H   0  0  0  0  0
   14.1540   -5.0706   -2.8905 H   0  0  0  0  0
   12.3610   -0.1779   -0.7556 H   0  0  0  0  0
   10.0076    0.4747   -0.2156 H   0  0  0  0  0
    8.2514   -1.2378   -0.2204 H   0  0  0  0  0
    6.8745   -2.9552   -1.2494 H   0  0  0  0  0
    7.1475   -3.1825    0.4654 H   0  0  0  0  0
    5.0339   -7.0876   -2.8109 H   0  0  0  0  0
    4.7877   -8.4717   -0.8032 H   0  0  0  0  0
    6.7820   -9.3747    0.7384 H   0  0  0  0  0
    5.2252   -9.9320    1.4358 H   0  0  0  0  0
    6.5993   -9.5173    2.4905 H   0  0  0  0  0
    5.5681   -8.7040    4.2588 H   0  0  0  0  0
    3.9990   -9.2591    3.5756 H   0  0  0  0  0
    3.2819   -6.9267    4.6267 H   0  0  0  0  0
    3.3236   -6.0381    6.5053 H   0  0  0  0  0
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    4.4643   -5.9982   12.1871 H   0  0  0  0  0
    4.7200   -8.2908   11.2728 H   0  0  0  0  0
    4.3335   -8.7288    8.8919 H   0  0  0  0  0
  1  2  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  1 40  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 41  1  0  0  0
  6  7  1  0  0  0
  6 42  1  0  0  0
  7  8  2  0  0  0
  7 43  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
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 14 15  1  0  0  0
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 34 58  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL556816

>  <PubChem CID>
10841637

>  <Formula>
C25H21BrCl3N5O3

>  <Molecular Weight>
625.729000

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

>  <XlogP>
6.6

>  <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)NC4=CC(=CC=C4)Cl)Cl)Br

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

>  <InChI Std. ID>
InChI=1S/C25H21BrCl3N5O3/c1-14-23(26)34-10-4-7-20(24(34)31-14)37-13-17-18(28)8-9-19(22(17)29)33(2)21(35)12-30-25(36)32-16-6-3-5-15(27)11-16/h3-11H,12-13H2,1-2H3,(H2,30,32,36)

>  <InChI Key>
HKAFQVKVFBWIJW-UHFFFAOYSA-N

