
 CHEMBL172819

 61 65  0  0  0  0  0  0  0  0999 V2000
    3.6265   -1.9513    6.0804 C   0  0  0  0  0
    4.8230   -1.4574    5.3481 C   0  0  0  0  0
    5.7737   -0.7226    5.8865 N   0  0  0  0  0
    6.6259   -0.3969    4.8617 C   0  0  0  0  0
    6.2016   -0.9673    3.6633 C   0  0  0  0  0
    5.0763   -1.6866    4.0064 N   0  0  0  0  0
    4.1932   -2.4204    3.1076 C   0  0  0  0  0
    4.8733   -3.3333    2.1135 C   0  0  0  0  0
    4.5184   -3.2493    0.7577 C   0  0  0  0  0
    5.0147   -4.1683   -0.1673 C   0  0  0  0  0
    5.8609   -5.2010    0.2499 C   0  0  0  0  0
    6.2785   -5.2505    1.5857 C   0  0  0  0  0
    5.7753   -4.3311    2.5150 C   0  0  0  0  0
    6.2413   -6.2350   -0.7553 C   0  0  0  0  0
    6.3341   -5.8921   -1.9317 O   0  0  0  0  0
    6.3570   -7.6369   -0.3447 C   0  0  0  0  0
    5.6210   -8.2176    0.6730 C   0  0  0  0  0
    5.8473   -9.5674    0.6799 N   0  0  0  0  0
    6.7102   -9.8987   -0.3466 C   0  0  0  0  0
    7.1625  -11.1556   -0.7911 C   0  0  0  0  0
    8.0525  -11.2117   -1.8627 C   0  0  0  0  0
    8.5254  -10.0451   -2.4459 C   0  0  0  0  0
    8.0975   -8.7855   -1.9871 C   0  0  0  0  0
    7.1231   -8.6969   -0.9546 C   0  0  0  0  0
    8.7428   -7.6049   -2.5978 C   0  0  0  0  0
    9.1105   -7.5703   -3.7648 O   0  0  0  0  0
    8.9867   -6.6718   -1.6464 O   0  0  0  0  0
    9.5145   -5.4289   -2.1160 C   0  0  0  0  0
    5.2468  -10.4971    1.6402 C   0  0  0  0  0
    5.8739  -10.3290    3.0249 C   0  0  0  0  0
    3.7228  -10.3668    1.7010 C   0  0  0  0  0
    6.8874   -0.7474    2.4674 C   0  0  0  0  0
    8.0160    0.0556    2.5753 C   0  0  0  0  0
    8.4671    0.6183    3.7192 N   0  0  0  0  0
    7.7758    0.3983    4.8682 C   0  0  0  0  0
    2.7180   -1.8644    5.4769 H   0  0  0  0  0
    3.4692   -1.3595    6.9882 H   0  0  0  0  0
    3.7625   -2.9962    6.3733 H   0  0  0  0  0
    3.5837   -1.6617    2.6030 H   0  0  0  0  0
    3.5216   -3.0435    3.7076 H   0  0  0  0  0
    3.8291   -2.4816    0.4101 H   0  0  0  0  0
    4.7074   -4.1006   -1.2100 H   0  0  0  0  0
    6.9753   -6.0156    1.9221 H   0  0  0  0  0
    6.0809   -4.4145    3.5574 H   0  0  0  0  0
    4.9152   -7.7768    1.3651 H   0  0  0  0  0
    6.8204  -12.0795   -0.3345 H   0  0  0  0  0
    8.3921  -12.1769   -2.2321 H   0  0  0  0  0
    9.2463  -10.1086   -3.2598 H   0  0  0  0  0
    9.4464   -5.3050   -3.2010 H   0  0  0  0  0
   10.5564   -5.3455   -1.7973 H   0  0  0  0  0
    8.9425   -4.6225   -1.6470 H   0  0  0  0  0
    5.4681  -11.5110    1.2927 H   0  0  0  0  0
    5.6830   -9.3319    3.4369 H   0  0  0  0  0
    6.9601  -10.4665    2.9806 H   0  0  0  0  0
    5.4695  -11.0664    3.7262 H   0  0  0  0  0
    3.4108   -9.4030    2.1178 H   0  0  0  0  0
    3.2950  -11.1523    2.3329 H   0  0  0  0  0
    3.2824  -10.4580    0.7023 H   0  0  0  0  0
    6.5845   -1.1663    1.5178 H   0  0  0  0  0
    8.6161    0.2765    1.6956 H   0  0  0  0  0
    8.1492    0.8700    5.7680 H   0  0  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  1 38  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 35  1  0  0  0
  5 32  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 39  1  0  0  0
  7 40  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 41  1  0  0  0
 10 11  2  0  0  0
 10 42  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  2  0  0  0
 12 43  1  0  0  0
 13 44  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 24  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 45  1  0  0  0
 18 19  1  0  0  0
 18 29  1  0  0  0
 19 24  1  0  0  0
 19 20  2  0  0  0
 20 21  1  0  0  0
 20 46  1  0  0  0
 21 22  2  0  0  0
 21 47  1  0  0  0
 22 23  1  0  0  0
 22 48  1  0  0  0
 23 24  2  0  0  0
 23 25  1  0  0  0
 25 27  1  0  0  0
 25 26  2  0  0  0
 27 28  1  0  0  0
 28 49  1  0  0  0
 28 50  1  0  0  0
 28 51  1  0  0  0
 29 31  1  0  0  0
 29 30  1  0  0  0
 29 52  1  0  0  0
 30 53  1  0  0  0
 30 54  1  0  0  0
 30 55  1  0  0  0
 31 56  1  0  0  0
 31 57  1  0  0  0
 31 58  1  0  0  0
 32 33  2  0  0  0
 32 59  1  0  0  0
 33 34  1  0  0  0
 33 60  1  0  0  0
 34 35  2  0  0  0
 35 61  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL172819

>  <PubChem CID>
10814055

>  <Formula>
C28H26N4O3

>  <Molecular Weight>
466.541000

>  <IUPAC Name>
methyl 3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1-propan-2-ylindole-4-carboxylate

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)C4=CN(C5=CC=CC(=C54)C(=O)OC)C(C)C)C=CN=C2

>  <Isomeric SMILES>
CC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)C4=CN(C5=CC=CC(=C54)C(=O)OC)C(C)C)C=CN=C2

>  <InChI Std. ID>
InChI=1S/C28H26N4O3/c1-17(2)31-16-22(26-21(28(34)35-4)6-5-7-25(26)31)27(33)20-10-8-19(9-11-20)15-32-18(3)30-23-14-29-13-12-24(23)32/h5-14,16-17H,15H2,1-4H3

>  <InChI Key>
GNPNYMFYLRABBZ-UHFFFAOYSA-N

