
 CHEMBL367673

 61 64  0  0  0  0  0  0  0  0999 V2000
    4.7119   -1.7772   -4.6169 C   0  0  0  0  0
    5.8548   -2.6501   -4.9883 C   0  0  0  0  0
    6.9679   -2.2232   -5.5526 N   0  0  0  0  0
    7.7618   -3.3308   -5.7177 C   0  0  0  0  0
    7.1195   -4.4703   -5.2429 C   0  0  0  0  0
    5.9083   -4.0111   -4.7704 N   0  0  0  0  0
    4.8883   -4.8448   -4.1524 C   0  0  0  0  0
    5.0862   -4.9794   -2.6405 C   0  0  0  0  0
    4.2825   -6.1463   -2.0506 C   0  0  0  0  0
    4.4307   -6.2105   -0.5287 C   0  0  0  0  0
    3.9718   -7.5487    0.0510 C   0  0  0  0  0
    2.8463   -7.6423    0.5352 O   0  0  0  0  0
    4.9035   -8.6872    0.0393 C   0  0  0  0  0
    6.2760   -8.5454    0.0271 C   0  0  0  0  0
    6.8957   -9.7799   -0.0345 N   0  0  0  0  0
    5.9076  -10.7524    0.1261 C   0  0  0  0  0
    6.0237  -12.1474    0.3215 C   0  0  0  0  0
    4.8734  -12.9315    0.3788 C   0  0  0  0  0
    3.6252  -12.3401    0.3009 C   0  0  0  0  0
    3.5072  -10.9415    0.2040 C   0  0  0  0  0
    4.6526  -10.1066    0.1099 C   0  0  0  0  0
    2.1473  -10.3920    0.2550 C   0  0  0  0  0
    1.5395   -9.9392   -0.6955 O   0  0  0  0  0
    1.7270  -10.5672    1.5322 O   0  0  0  0  0
    0.4435  -10.0228    1.8187 C   0  0  0  0  0
    8.3009   -9.9133   -0.1476 C   0  0  0  0  0
    9.0003   -9.0423    0.3495 O   0  0  0  0  0
    8.7683  -11.0172   -0.8617 N   0  0  0  0  0
   10.2069  -11.2238   -0.8427 C   0  0  0  0  0
    8.0862  -11.5891   -2.0204 C   0  0  0  0  0
    7.7145   -5.7309   -5.2998 C   0  0  0  0  0
    8.9854   -5.7504   -5.8610 C   0  0  0  0  0
    9.6491   -4.6694   -6.3304 N   0  0  0  0  0
    9.0438   -3.4530   -6.2621 C   0  0  0  0  0
    3.7526   -2.2265   -4.8832 H   0  0  0  0  0
    4.7838   -0.8211   -5.1462 H   0  0  0  0  0
    4.7252   -1.5706   -3.5432 H   0  0  0  0  0
    4.9301   -5.8234   -4.6445 H   0  0  0  0  0
    3.9060   -4.4206   -4.3825 H   0  0  0  0  0
    4.7974   -4.0397   -2.1531 H   0  0  0  0  0
    6.1486   -5.1339   -2.4144 H   0  0  0  0  0
    4.6206   -7.0844   -2.5073 H   0  0  0  0  0
    3.2215   -6.0377   -2.3063 H   0  0  0  0  0
    3.8296   -5.4173   -0.0671 H   0  0  0  0  0
    5.4623   -6.0102   -0.2232 H   0  0  0  0  0
    6.9012   -7.6608    0.0281 H   0  0  0  0  0
    6.9975  -12.6228    0.4177 H   0  0  0  0  0
    4.9567  -14.0090    0.4989 H   0  0  0  0  0
    2.7303  -12.9573    0.3578 H   0  0  0  0  0
    0.1925  -10.2922    2.8490 H   0  0  0  0  0
   -0.3200  -10.4412    1.1567 H   0  0  0  0  0
    0.4751   -8.9323    1.7449 H   0  0  0  0  0
   10.6571  -10.8197    0.0688 H   0  0  0  0  0
   10.6488  -10.7166   -1.7067 H   0  0  0  0  0
   10.4154  -12.2958   -0.8961 H   0  0  0  0  0
    7.0502  -11.2662   -2.1188 H   0  0  0  0  0
    8.1355  -12.6796   -1.9515 H   0  0  0  0  0
    8.6064  -11.2619   -2.9264 H   0  0  0  0  0
    7.2350   -6.6310   -4.9396 H   0  0  0  0  0
    9.5301   -6.6872   -5.9511 H   0  0  0  0  0
    9.5962   -2.6043   -6.6442 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  9  1  0  0  0
  8 40  1  0  0  0
  8 41  1  0  0  0
  9 10  1  0  0  0
  9 42  1  0  0  0
  9 43  1  0  0  0
 10 11  1  0  0  0
 10 44  1  0  0  0
 10 45  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 21  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 46  1  0  0  0
 15 16  1  0  0  0
 15 26  1  0  0  0
 16 21  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 47  1  0  0  0
 18 19  2  0  0  0
 18 48  1  0  0  0
 19 20  1  0  0  0
 19 49  1  0  0  0
 20 21  2  0  0  0
 20 22  1  0  0  0
 22 24  1  0  0  0
 22 23  2  0  0  0
 24 25  1  0  0  0
 25 50  1  0  0  0
 25 51  1  0  0  0
 25 52  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 53  1  0  0  0
 29 54  1  0  0  0
 29 55  1  0  0  0
 30 56  1  0  0  0
 30 57  1  0  0  0
 30 58  1  0  0  0
 31 32  2  0  0  0
 31 59  1  0  0  0
 32 33  1  0  0  0
 32 60  1  0  0  0
 33 34  2  0  0  0
 34 61  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL367673

>  <PubChem CID>
10671691

>  <Formula>
C25H27N5O4

>  <Molecular Weight>
461.522000

>  <IUPAC Name>
methyl 1-(dimethylcarbamoyl)-3-[5-(2-methylimidazo[4,5-c]pyridin-1-yl)pentanoyl]indole-4-carboxylate

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=NC2=C(N1CCCCC(=O)C3=CN(C4=CC=CC(=C43)C(=O)OC)C(=O)N(C)C)C=CN=C2

>  <Isomeric SMILES>
CC1=NC2=C(N1CCCCC(=O)C3=CN(C4=CC=CC(=C43)C(=O)OC)C(=O)N(C)C)C=CN=C2

>  <InChI Std. ID>
InChI=1S/C25H27N5O4/c1-16-27-19-14-26-12-11-20(19)29(16)13-6-5-10-22(31)18-15-30(25(33)28(2)3)21-9-7-8-17(23(18)21)24(32)34-4/h7-9,11-12,14-15H,5-6,10,13H2,1-4H3

>  <InChI Key>
BWCKENYUNOPLFF-UHFFFAOYSA-N

