
 CHEMBL479542

 45 48  0  0  0  0  0  0  0  0999 V2000
    2.4412    8.7120   -0.3690 C   0  0  0  0  0
    1.2367    8.7384   -1.2647 C   0  0  0  0  0
    0.2813    7.7189   -1.2109 C   0  0  0  0  0
   -0.8652    7.8461   -1.9983 C   0  0  0  0  0
   -0.9935    8.9377   -2.8523 C   0  0  0  0  0
    0.0210    9.8788   -2.8712 C   0  0  0  0  0
    1.1251    9.8066   -2.0978 N   0  0  0  0  0
    0.4981    6.6859   -0.3301 O   0  0  0  0  0
   -0.0014    5.4402   -0.6310 C   0  0  0  0  0
   -0.6300    4.8283    0.3906 N   0  0  0  0  0
   -1.1190    3.5815    0.1653 C   0  0  0  0  0
   -1.0084    2.9045   -1.0466 C   0  0  0  0  0
   -0.3201    3.5553   -2.0723 C   0  0  0  0  0
    0.2064    4.8319   -1.8621 C   0  0  0  0  0
   -1.5411    1.6257   -1.3189 N   0  0  0  0  0
   -2.2676    0.8267   -0.4511 C   0  0  0  0  0
   -2.5159    1.1251    0.7120 O   0  0  0  0  0
   -2.7473   -0.4383   -1.0308 C   0  0  0  0  0
   -2.5318   -0.9285   -2.3120 C   0  0  0  0  0
   -3.1675   -2.1378   -2.4336 N   0  0  0  0  0
   -3.7997   -2.4691   -1.2577 C   0  0  0  0  0
   -4.5645   -3.5954   -0.9101 C   0  0  0  0  0
   -5.0941   -3.6609    0.3811 C   0  0  0  0  0
   -4.8696   -2.6389    1.2955 C   0  0  0  0  0
   -4.1063   -1.5225    0.9384 C   0  0  0  0  0
   -3.5557   -1.4259   -0.3598 C   0  0  0  0  0
   -3.1738   -2.9505   -3.6307 C   0  0  0  0  0
    2.1309    8.7489    0.6804 H   0  0  0  0  0
    3.0864    9.5760   -0.5592 H   0  0  0  0  0
    3.0289    7.8054   -0.5421 H   0  0  0  0  0
   -1.6683    7.1166   -1.9465 H   0  0  0  0  0
   -1.8692    9.0566   -3.4802 H   0  0  0  0  0
   -0.0331   10.7490   -3.5194 H   0  0  0  0  0
   -1.6137    3.1572    1.0315 H   0  0  0  0  0
   -0.1807    3.0857   -3.0423 H   0  0  0  0  0
    0.7580    5.3342   -2.6484 H   0  0  0  0  0
   -1.3947    1.2712   -2.2510 H   0  0  0  0  0
   -1.9836   -0.5277   -3.1530 H   0  0  0  0  0
   -4.7459   -4.3989   -1.6167 H   0  0  0  0  0
   -5.6896   -4.5225    0.6741 H   0  0  0  0  0
   -5.2879   -2.7024    2.2969 H   0  0  0  0  0
   -3.9399   -0.7311    1.6656 H   0  0  0  0  0
   -2.6500   -2.4252   -4.4333 H   0  0  0  0  0
   -4.2116   -3.1285   -3.9243 H   0  0  0  0  0
   -2.6657   -3.8926   -3.4097 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3  8  1  0  0  0
  4  5  2  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  6  7  2  0  0  0
  6 33  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 34  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 35  1  0  0  0
 14 36  1  0  0  0
 15 16  1  0  0  0
 15 37  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 26  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 19 38  1  0  0  0
 20 21  1  0  0  0
 20 27  1  0  0  0
 21 26  1  0  0  0
 21 22  2  0  0  0
 22 23  1  0  0  0
 22 39  1  0  0  0
 23 24  2  0  0  0
 23 40  1  0  0  0
 24 25  1  0  0  0
 24 41  1  0  0  0
 25 26  2  0  0  0
 25 42  1  0  0  0
 27 43  1  0  0  0
 27 44  1  0  0  0
 27 45  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL479542

>  <PubChem CID>
44251384

>  <Formula>
C21H18N4O2

>  <Molecular Weight>
358.401000

>  <IUPAC Name>
1-methyl-N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]indole-3-carboxamide

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(C=CC=N1)OC2=NC=C(C=C2)NC(=O)C3=CN(C4=CC=CC=C43)C

>  <Isomeric SMILES>
CC1=C(C=CC=N1)OC2=NC=C(C=C2)NC(=O)C3=CN(C4=CC=CC=C43)C

>  <InChI Std. ID>
InChI=1S/C21H18N4O2/c1-14-19(8-5-11-22-14)27-20-10-9-15(12-23-20)24-21(26)17-13-25(2)18-7-4-3-6-16(17)18/h3-13H,1-2H3,(H,24,26)

>  <InChI Key>
ACKANGRKJDCYAH-UHFFFAOYSA-N

