
 CHEMBL346718

 52 54  0  0  0  0  0  0  0  0999 V2000
    3.5133    1.0022    1.4506 C   0  0  0  0  0
    4.8469    0.7430    0.8624 C   0  0  0  0  0
    5.8639    1.6241    0.5652 C   0  0  0  0  0
    6.8873    0.8735    0.0396 N   0  0  0  0  0
    8.1425    1.2635   -0.4295 C   0  0  0  0  0
    8.9915    0.3330   -0.8897 C   0  0  0  0  0
    8.5823   -1.0636   -0.8746 C   0  0  0  0  0
    7.3640   -1.4477   -0.4262 C   0  0  0  0  0
    6.4488   -0.4508    0.0501 C   0  0  0  0  0
    5.2224   -0.5406    0.5356 N   0  0  0  0  0
    6.8711   -2.7288   -0.3551 O   0  0  0  0  0
    7.8019   -3.8032   -0.4334 C   0  0  0  0  0
    7.0206   -5.0980   -0.4188 C   0  0  0  0  0
    6.5721   -5.6654   -1.6273 C   0  0  0  0  0
    5.8242   -6.8429   -1.6363 C   0  0  0  0  0
    5.5056   -7.4779   -0.4409 C   0  0  0  0  0
    5.9458   -6.9590    0.7832 C   0  0  0  0  0
    6.6799   -5.7481    0.7927 C   0  0  0  0  0
    7.2536   -5.1025    2.3029 Cl  0  0  0  0  0
    5.5913   -7.6702    1.9678 N   0  0  0  0  0
    4.7473   -6.9878    2.9417 C   0  0  0  0  0
    5.8920   -9.0226    2.1935 C   0  0  0  0  0
    5.3591   -9.6626    3.1056 O   0  0  0  0  0
    6.9525   -9.6630    1.2661 C   0  0  0  0  0
    7.3197  -11.0405    1.6076 N   0  0  0  0  0
    6.3481  -12.0771    1.2878 C   0  0  0  0  0
    8.4179  -11.2325    2.4323 C   0  0  0  0  0
    9.1401  -10.3052    2.7996 O   0  0  0  0  0
    8.7423  -12.6500    2.8311 C   0  0  0  0  0
    6.9108   -4.9560   -3.1697 Cl  0  0  0  0  0
    5.8401    3.4699    0.8416 Br  0  0  0  0  0
    2.9460    0.0726    1.5588 H   0  0  0  0  0
    2.9358    1.6784    0.8128 H   0  0  0  0  0
    3.6112    1.4553    2.4422 H   0  0  0  0  0
    8.3866    2.3181   -0.4054 H   0  0  0  0  0
    9.9754    0.5897   -1.2695 H   0  0  0  0  0
    9.3107   -1.7683   -1.2572 H   0  0  0  0  0
    8.5116   -3.7488    0.3995 H   0  0  0  0  0
    8.4067   -3.7438   -1.3441 H   0  0  0  0  0
    5.4749   -7.2661   -2.5759 H   0  0  0  0  0
    4.8810   -8.3684   -0.4746 H   0  0  0  0  0
    4.3420   -6.0537    2.5400 H   0  0  0  0  0
    5.3342   -6.7896    3.8436 H   0  0  0  0  0
    3.9070   -7.6333    3.2178 H   0  0  0  0  0
    7.8462   -9.0287    1.2873 H   0  0  0  0  0
    6.5847   -9.6990    0.2398 H   0  0  0  0  0
    5.9491  -11.9008    0.2843 H   0  0  0  0  0
    5.5351  -12.0461    2.0174 H   0  0  0  0  0
    6.7976  -13.0715    1.3025 H   0  0  0  0  0
    9.0250  -13.2272    1.9462 H   0  0  0  0  0
    7.8931  -13.1132    3.3393 H   0  0  0  0  0
    9.5900  -12.6468    3.5228 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2 10  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 31  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 35  1  0  0  0
  6  7  1  0  0  0
  6 36  1  0  0  0
  7  8  2  0  0  0
  7 37  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 38  1  0  0  0
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 14 15  1  0  0  0
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 15 16  2  0  0  0
 15 40  1  0  0  0
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 16 41  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
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 22 23  2  0  0  0
 24 25  1  0  0  0
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 24 46  1  0  0  0
 25 27  1  0  0  0
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 29 52  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL346718

>  <PubChem CID>
10506334

>  <Formula>
C21H21BrCl2N4O3

>  <Molecular Weight>
528.228000

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

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(N2C=CC=C(C2=N1)OCC3=C(C=CC(=C3Cl)N(C)C(=O)CN(C)C(=O)C)Cl)Br

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

>  <InChI Std. ID>
InChI=1S/C21H21BrCl2N4O3/c1-12-20(22)28-9-5-6-17(21(28)25-12)31-11-14-15(23)7-8-16(19(14)24)27(4)18(30)10-26(3)13(2)29/h5-9H,10-11H2,1-4H3

>  <InChI Key>
ACPMOXVLJKNTRY-UHFFFAOYSA-N

