
 CHEMBL170370

 56 60  0  0  0  0  0  0  0  0999 V2000
    1.1828   -3.4599   -2.7600 C   0  0  0  0  0
    1.8690   -2.1793   -2.4515 C   0  0  0  0  0
    1.9567   -1.1678   -3.2916 N   0  0  0  0  0
    2.6667   -0.1913   -2.6407 C   0  0  0  0  0
    3.0258   -0.6116   -1.3626 C   0  0  0  0  0
    2.5065   -1.8871   -1.2603 N   0  0  0  0  0
    2.5175   -2.7091   -0.0575 C   0  0  0  0  0
    3.7065   -3.6375    0.0115 C   0  0  0  0  0
    4.9069   -3.2111    0.5966 C   0  0  0  0  0
    6.0064   -4.0690    0.6776 C   0  0  0  0  0
    5.9325   -5.3698    0.1662 C   0  0  0  0  0
    4.7302   -5.8136   -0.3960 C   0  0  0  0  0
    3.6302   -4.9502   -0.4793 C   0  0  0  0  0
    7.1460   -6.2340    0.2728 C   0  0  0  0  0
    7.9190   -6.0215    1.2023 O   0  0  0  0  0
    7.4284   -7.2271   -0.7656 C   0  0  0  0  0
    7.1348   -7.0394   -2.1036 C   0  0  0  0  0
    7.5103   -8.1495   -2.8342 N   0  0  0  0  0
    8.3144   -8.9339   -2.0058 C   0  0  0  0  0
    8.1604   -8.4663   -0.6846 C   0  0  0  0  0
    8.7513   -9.2427    0.3489 C   0  0  0  0  0
    9.5624  -10.3437    0.0375 C   0  0  0  0  0
    9.7947  -10.7005   -1.2825 C   0  0  0  0  0
    9.1707  -10.0098   -2.3189 C   0  0  0  0  0
    8.4364   -8.9143    2.1905 Br  0  0  0  0  0
    7.1622   -8.3202   -4.1964 C   0  0  0  0  0
    7.0032   -7.3154   -4.8804 O   0  0  0  0  0
    6.9772   -9.6314   -4.6350 N   0  0  0  0  0
    6.4638  -10.7168   -3.8024 C   0  0  0  0  0
    6.7767   -9.8111   -6.0632 C   0  0  0  0  0
    3.7481    0.2125   -0.4977 C   0  0  0  0  0
    4.0811    1.4589   -1.0146 C   0  0  0  0  0
    3.7493    1.9067   -2.2463 N   0  0  0  0  0
    3.0396    1.0873   -3.0667 C   0  0  0  0  0
    0.5953   -3.8282   -1.9156 H   0  0  0  0  0
    1.9135   -4.2211   -3.0475 H   0  0  0  0  0
    0.4940   -3.3234   -3.6006 H   0  0  0  0  0
    1.5794   -3.2717   -0.0102 H   0  0  0  0  0
    2.5043   -2.0392    0.8106 H   0  0  0  0  0
    5.0027   -2.2090    1.0068 H   0  0  0  0  0
    6.9274   -3.7155    1.1394 H   0  0  0  0  0
    4.6280   -6.8303   -0.7671 H   0  0  0  0  0
    2.7085   -5.3220   -0.9220 H   0  0  0  0  0
    6.6427   -6.2190   -2.6130 H   0  0  0  0  0
   10.0286  -10.9228    0.8321 H   0  0  0  0  0
   10.4519  -11.5372   -1.5091 H   0  0  0  0  0
    9.3457  -10.3082   -3.3498 H   0  0  0  0  0
    6.3475  -10.4376   -2.7551 H   0  0  0  0  0
    7.1340  -11.5757   -3.8974 H   0  0  0  0  0
    5.4712  -11.0006   -4.1673 H   0  0  0  0  0
    7.2425   -9.0049   -6.6373 H   0  0  0  0  0
    5.7016   -9.8143   -6.2719 H   0  0  0  0  0
    7.2151  -10.7649   -6.3690 H   0  0  0  0  0
    4.0389   -0.0795    0.5010 H   0  0  0  0  0
    4.6526    2.1655   -0.4168 H   0  0  0  0  0
    2.7814    1.4710   -4.0453 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  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 40  1  0  0  0
 10 11  2  0  0  0
 10 41  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  2  0  0  0
 12 42  1  0  0  0
 13 43  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  2  0  0  0
 16 20  1  0  0  0
 17 18  1  0  0  0
 17 44  1  0  0  0
 18 19  1  0  0  0
 18 26  1  0  0  0
 19 24  1  0  0  0
 19 20  2  0  0  0
 20 21  1  0  0  0
 21 22  2  0  0  0
 21 25  1  0  0  0
 22 23  1  0  0  0
 22 45  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>
CHEMBL170370

>  <PubChem CID>
11800020

>  <Formula>
C26H22BrN5O2

>  <Molecular Weight>
516.399000

>  <IUPAC Name>
4-bromo-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)C4=CN(C5=C4C(=CC=C5)Br)C(=O)N(C)C)C=CN=C2

>  <Isomeric SMILES>
CC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)C4=CN(C5=C4C(=CC=C5)Br)C(=O)N(C)C)C=CN=C2

>  <InChI Std. ID>
InChI=1S/C26H22BrN5O2/c1-16-29-21-13-28-12-11-22(21)31(16)14-17-7-9-18(10-8-17)25(33)19-15-32(26(34)30(2)3)23-6-4-5-20(27)24(19)23/h4-13,15H,14H2,1-3H3

>  <InChI Key>
GVQIXXPXVRIRJW-UHFFFAOYSA-N

