
 CHEMBL1672539

 47 50  0  0  0  0  0  0  0  0999 V2000
    1.0053    0.4843   -1.7278 C   0  0  0  0  0
    2.2496    0.5109   -0.8554 C   0  0  0  0  0
    3.4341    1.1427   -1.5916 C   0  0  0  0  0
    4.6182    1.2487   -0.7547 N   0  0  0  0  0
    5.5496    0.2364   -0.5618 C   0  0  0  0  0
    6.5199    0.8302    0.2425 C   0  0  0  0  0
    7.6470    0.1039    0.6591 C   0  0  0  0  0
    7.7882   -1.2239    0.2566 C   0  0  0  0  0
    6.8207   -1.8155   -0.5504 C   0  0  0  0  0
    5.6892   -1.1028   -0.9752 C   0  0  0  0  0
    4.5585   -1.9248   -1.9774 Cl  0  0  0  0  0
    6.2087    2.1296    0.5158 N   0  0  0  0  0
    5.0566    2.3849   -0.0781 C   0  0  0  0  0
    4.4380    3.7187   -0.0037 C   0  0  0  0  0
    3.0705    3.9715   -0.0472 C   0  0  0  0  0
    2.5837    5.2766    0.0660 C   0  0  0  0  0
    3.4842    6.3294    0.2831 C   0  0  0  0  0
    4.8169    6.1168    0.3201 N   0  0  0  0  0
    5.2534    4.8352    0.1857 C   0  0  0  0  0
    3.0806    7.6639    0.4873 N   0  0  0  0  0
    2.1589    8.0643    1.4834 C   0  0  0  0  0
    2.0182    7.4193    2.7124 C   0  0  0  0  0
    1.1523    7.7933    3.6846 N   0  0  0  0  0
    0.3933    8.8865    3.4470 C   0  0  0  0  0
    0.4948    9.6249    2.2718 C   0  0  0  0  0
    1.4053    9.2205    1.2951 C   0  0  0  0  0
   -0.6272    9.2399    4.4855 C   0  0  0  0  0
    0.8769    5.5034   -0.1031 Cl  0  0  0  0  0
    0.1601    0.0727   -1.1687 H   0  0  0  0  0
    1.1633   -0.1383   -2.6134 H   0  0  0  0  0
    0.7344    1.4927   -2.0579 H   0  0  0  0  0
    2.4879   -0.5089   -0.5388 H   0  0  0  0  0
    2.0297    1.0579    0.0674 H   0  0  0  0  0
    3.1857    2.1397   -1.9669 H   0  0  0  0  0
    3.7002    0.5746   -2.4870 H   0  0  0  0  0
    8.3946    0.5806    1.2848 H   0  0  0  0  0
    8.6579   -1.7950    0.5727 H   0  0  0  0  0
    6.9520   -2.8523   -0.8556 H   0  0  0  0  0
    2.3476    3.1735   -0.1463 H   0  0  0  0  0
    6.3367    4.7250    0.2495 H   0  0  0  0  0
    3.9565    8.1723    0.6215 H   0  0  0  0  0
    2.6131    6.5453    2.9624 H   0  0  0  0  0
   -0.1287   10.4973    2.1062 H   0  0  0  0  0
    1.4914    9.7847    0.3708 H   0  0  0  0  0
   -0.8039   10.3205    4.5157 H   0  0  0  0  0
   -0.2878    8.9277    5.4778 H   0  0  0  0  0
   -1.5718    8.7312    4.2630 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  2 33  1  0  0  0
  3  4  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  4  5  1  0  0  0
  4 13  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6 12  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 36  1  0  0  0
  8  9  1  0  0  0
  8 37  1  0  0  0
  9 10  2  0  0  0
  9 38  1  0  0  0
 10 11  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 14 19  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 39  1  0  0  0
 16 17  2  0  0  0
 16 28  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  2  0  0  0
 19 40  1  0  0  0
 20 21  1  0  0  0
 20 41  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
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 23 24  2  0  0  0
 24 25  1  0  0  0
 24 27  1  0  0  0
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 27 45  1  0  0  0
 27 46  1  0  0  0
 27 47  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1672539

>  <PubChem CID>
51033723

>  <Formula>
C21H19Cl2N5

>  <Molecular Weight>
412.318000

>  <IUPAC Name>
3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-N-(6-methylpyridin-3-yl)pyridin-2-amine

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCN1C2=C(C=CC=C2Cl)N=C1C3=CC(=C(N=C3)NC4=CN=C(C=C4)C)Cl

>  <Isomeric SMILES>
CCCN1C2=C(C=CC=C2Cl)N=C1C3=CC(=C(N=C3)NC4=CN=C(C=C4)C)Cl

>  <InChI Std. ID>
InChI=1S/C21H19Cl2N5/c1-3-9-28-19-16(22)5-4-6-18(19)27-21(28)14-10-17(23)20(25-11-14)26-15-8-7-13(2)24-12-15/h4-8,10-12H,3,9H2,1-2H3,(H,25,26)

>  <InChI Key>
RGKVPYQYBUAAEH-UHFFFAOYSA-N

