
 CHEMBL173104

 56 60  0  0  0  0  0  0  0  0999 V2000
    5.2310   -5.5979   -3.5596 C   0  0  0  0  0
    4.7170   -4.2511   -3.9137 C   0  0  0  0  0
    4.3380   -3.9067   -5.1276 N   0  0  0  0  0
    3.9198   -2.6030   -5.0429 C   0  0  0  0  0
    4.0335   -2.1354   -3.7374 C   0  0  0  0  0
    4.5581   -3.1985   -3.0337 N   0  0  0  0  0
    4.9276   -3.1618   -1.6277 C   0  0  0  0  0
    3.7448   -3.4678   -0.7301 C   0  0  0  0  0
    2.9844   -2.5679   -0.3715 O   0  0  0  0  0
    3.4862   -4.8652   -0.3836 C   0  0  0  0  0
    4.4380   -5.8504   -0.2233 C   0  0  0  0  0
    3.8150   -7.0896   -0.1695 N   0  0  0  0  0
    2.4450   -6.8633   -0.0085 C   0  0  0  0  0
    2.2252   -5.4883   -0.1449 C   0  0  0  0  0
    0.9035   -5.0080   -0.0668 C   0  0  0  0  0
   -0.1560   -5.8992    0.1535 C   0  0  0  0  0
    0.0493   -7.2797    0.2914 C   0  0  0  0  0
    1.3756   -7.7534    0.2389 C   0  0  0  0  0
   -1.0919   -8.2157    0.4492 C   0  0  0  0  0
   -0.9948   -9.3707    1.2508 C   0  0  0  0  0
   -2.0582  -10.2734    1.3605 C   0  0  0  0  0
   -3.2412  -10.0256    0.6803 C   0  0  0  0  0
   -3.3804   -8.8942   -0.1087 C   0  0  0  0  0
   -2.3112   -8.0004   -0.2267 C   0  0  0  0  0
   -4.2586  -10.8902    0.7838 F   0  0  0  0  0
    4.5351   -8.3066   -0.2480 C   0  0  0  0  0
    5.6812   -8.3341    0.1856 O   0  0  0  0  0
    3.8668   -9.3616   -0.8665 N   0  0  0  0  0
    4.4814  -10.6698   -0.7345 C   0  0  0  0  0
    3.0834   -9.1760   -2.0892 C   0  0  0  0  0
    3.6541   -0.8408   -3.3821 C   0  0  0  0  0
    3.1761   -0.0656   -4.4315 C   0  0  0  0  0
    3.0625   -0.4743   -5.7168 N   0  0  0  0  0
    3.4286   -1.7452   -6.0310 C   0  0  0  0  0
    4.4774   -6.1565   -3.0004 H   0  0  0  0  0
    6.1537   -5.5409   -2.9768 H   0  0  0  0  0
    5.4471   -6.1708   -4.4675 H   0  0  0  0  0
    5.2987   -2.1568   -1.3974 H   0  0  0  0  0
    5.7652   -3.8417   -1.4597 H   0  0  0  0  0
    5.5201   -5.8188   -0.2576 H   0  0  0  0  0
    0.6978   -3.9441   -0.1700 H   0  0  0  0  0
   -1.1592   -5.4812    0.2203 H   0  0  0  0  0
    1.5755   -8.8161    0.3479 H   0  0  0  0  0
   -0.0850   -9.5811    1.8091 H   0  0  0  0  0
   -1.9677  -11.1647    1.9731 H   0  0  0  0  0
   -4.3129   -8.7152   -0.6344 H   0  0  0  0  0
   -2.4388   -7.1351   -0.8744 H   0  0  0  0  0
    4.9370  -10.7811    0.2538 H   0  0  0  0  0
    5.2586  -10.7789   -1.4976 H   0  0  0  0  0
    3.7181  -11.4419   -0.8661 H   0  0  0  0  0
    2.8125   -8.1354   -2.2726 H   0  0  0  0  0
    2.1820   -9.7920   -2.0272 H   0  0  0  0  0
    3.6867   -9.5024   -2.9432 H   0  0  0  0  0
    3.7123   -0.4597   -2.3709 H   0  0  0  0  0
    2.8553    0.9582   -4.2535 H   0  0  0  0  0
    3.3226   -2.0497   -7.0642 H   0  0  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  6  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4 34  1  0  0  0
  5 31  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 38  1  0  0  0
  7 39  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 14  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 40  1  0  0  0
 12 13  1  0  0  0
 12 26  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 41  1  0  0  0
 16 17  1  0  0  0
 16 42  1  0  0  0
 17 18  2  0  0  0
 17 19  1  0  0  0
 18 43  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 44  1  0  0  0
 21 22  2  0  0  0
 21 45  1  0  0  0
 22 23  1  0  0  0
 22 25  1  0  0  0
 23 24  2  0  0  0
 23 46  1  0  0  0
 24 47  1  0  0  0
 26 28  1  0  0  0
 26 27  2  0  0  0
 28 30  1  0  0  0
 28 29  1  0  0  0
 29 48  1  0  0  0
 29 49  1  0  0  0
 29 50  1  0  0  0
 30 51  1  0  0  0
 30 52  1  0  0  0
 30 53  1  0  0  0
 31 32  2  0  0  0
 31 54  1  0  0  0
 32 33  1  0  0  0
 32 55  1  0  0  0
 33 34  2  0  0  0
 34 56  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL173104

>  <PubChem CID>
10551722

>  <Formula>
C26H22FN5O2

>  <Molecular Weight>
455.493000

>  <IUPAC Name>
6-(4-fluorophenyl)-N,N-dimethyl-3-[2-(2-methylimidazo[4,5-c]pyridin-1-yl)acetyl]indole-1-carboxamide

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=NC2=C(N1CC(=O)C3=CN(C4=C3C=CC(=C4)C5=CC=C(C=C5)F)C(=O)N(C)C)C=CN=C2

>  <Isomeric SMILES>
CC1=NC2=C(N1CC(=O)C3=CN(C4=C3C=CC(=C4)C5=CC=C(C=C5)F)C(=O)N(C)C)C=CN=C2

>  <InChI Std. ID>
InChI=1S/C26H22FN5O2/c1-16-29-22-13-28-11-10-23(22)31(16)15-25(33)21-14-32(26(34)30(2)3)24-12-18(6-9-20(21)24)17-4-7-19(27)8-5-17/h4-14H,15H2,1-3H3

>  <InChI Key>
GYPDWEMMDNUGPB-UHFFFAOYSA-N

