
 CHEMBL154633

 43 45  0  0  0  0  0  0  0  0999 V2000
    1.7498    1.5211   -1.9206 C   0  0  0  0  0
    1.8473    2.1502   -0.5398 C   0  0  0  0  0
    2.6960    1.3521    0.3559 N   0  0  0  0  0
    2.1024    0.1393    0.9077 C   0  0  0  0  0
    4.0705    1.5953    0.4047 C   0  0  0  0  0
    5.1101    0.6233    0.3226 C   0  0  0  0  0
    6.4856    0.9690    0.4762 C   0  0  0  0  0
    6.8150    2.3230    0.6463 C   0  0  0  0  0
    5.8194    3.2916    0.7070 C   0  0  0  0  0
    4.4791    2.9272    0.6062 C   0  0  0  0  0
    8.4387    2.8932    0.8086 Cl  0  0  0  0  0
    7.5654   -0.0991    0.5017 C   0  0  0  0  0
    7.7886   -0.7112   -0.7724 O   0  0  0  0  0
    8.5987   -0.0372   -1.6600 C   0  0  0  0  0
    8.2003    0.1433   -2.9343 C   0  0  0  0  0
    9.0467    0.7927   -3.9191 C   0  0  0  0  0
   10.2678    1.2135   -3.5467 C   0  0  0  0  0
   10.6920    1.0087   -2.2330 N   0  0  0  0  0
    9.9158    0.3696   -1.2642 C   0  0  0  0  0
   10.5755    0.2637   -0.1254 N   0  0  0  0  0
   11.7799    0.9036   -0.3176 C   0  0  0  0  0
   11.8699    1.3589   -1.6150 C   0  0  0  0  0
   13.3014    2.2904   -2.3689 Br  0  0  0  0  0
   12.7241    1.0314    0.8158 C   0  0  0  0  0
    4.7355   -1.0383   -0.0632 Cl  0  0  0  0  0
    1.1423    2.1523   -2.5773 H   0  0  0  0  0
    1.2790    0.5342   -1.8750 H   0  0  0  0  0
    2.7386    1.4053   -2.3752 H   0  0  0  0  0
    0.8417    2.2310   -0.1085 H   0  0  0  0  0
    2.2019    3.1803   -0.6481 H   0  0  0  0  0
    1.0842    0.3469    1.2568 H   0  0  0  0  0
    2.6561   -0.2289    1.7779 H   0  0  0  0  0
    2.0241   -0.6489    0.1525 H   0  0  0  0  0
    6.0740    4.3378    0.8607 H   0  0  0  0  0
    3.7373    3.7129    0.7320 H   0  0  0  0  0
    7.2325   -0.8978    1.1775 H   0  0  0  0  0
    8.4873    0.2408    0.9764 H   0  0  0  0  0
    7.2228   -0.2056   -3.2542 H   0  0  0  0  0
    8.6768    0.9199   -4.9301 H   0  0  0  0  0
   10.9480    1.7060   -4.2288 H   0  0  0  0  0
   13.7437    1.2415    0.4820 H   0  0  0  0  0
   12.7474    0.1055    1.3990 H   0  0  0  0  0
   12.4047    1.8436    1.4768 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  5  1  0  0  0
  3  4  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 25  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 34  1  0  0  0
 10 35  1  0  0  0
 12 13  1  0  0  0
 12 36  1  0  0  0
 12 37  1  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 38  1  0  0  0
 16 17  2  0  0  0
 16 39  1  0  0  0
 17 18  1  0  0  0
 17 40  1  0  0  0
 18 22  1  0  0  0
 18 19  1  0  0  0
 19 20  2  0  0  0
 20 21  1  0  0  0
 21 22  2  0  0  0
 21 24  1  0  0  0
 22 23  1  0  0  0
 24 41  1  0  0  0
 24 42  1  0  0  0
 24 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL154633

>  <PubChem CID>
10789357

>  <Formula>
C18H18BrCl2N3O

>  <Molecular Weight>
443.166000

>  <IUPAC Name>
3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-ethyl-N-methylaniline

>  <XlogP>
6.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCN(C)C1=C(C(=C(C=C1)Cl)COC2=CC=CN3C2=NC(=C3Br)C)Cl

>  <Isomeric SMILES>
CCN(C)C1=C(C(=C(C=C1)Cl)COC2=CC=CN3C2=NC(=C3Br)C)Cl

>  <InChI Std. ID>
InChI=1S/C18H18BrCl2N3O/c1-4-23(3)14-8-7-13(20)12(16(14)21)10-25-15-6-5-9-24-17(19)11(2)22-18(15)24/h5-9H,4,10H2,1-3H3

>  <InChI Key>
CCYYQYZNHPGFSQ-UHFFFAOYSA-N

