
 CHEMBL1672235

 42 44  0  0  0  0  0  0  0  0999 V2000
    1.6790   -0.7196    1.0043 C   0  0  0  0  0
    1.6133    0.6598    0.6523 O   0  0  0  0  0
    2.8227    1.3184    0.5771 C   0  0  0  0  0
    2.7618    2.7194    0.6926 C   0  0  0  0  0
    3.9433    3.4575    0.6716 C   0  0  0  0  0
    5.1739    2.8094    0.4806 C   0  0  0  0  0
    5.2335    1.4234    0.2946 C   0  0  0  0  0
    4.0503    0.6845    0.3645 C   0  0  0  0  0
    6.4892    0.8427    0.0145 N   0  0  0  0  0
    6.7360   -0.4686   -0.3614 C   0  0  0  0  0
    5.9203   -1.3793   -0.4479 O   0  0  0  0  0
    8.1541   -0.7465   -0.7219 C   0  0  0  0  0
    9.0785    0.2236   -0.4570 N   0  0  0  0  0
   10.3472   -0.1022   -0.8142 C   0  0  0  0  0
   10.6746   -1.3099   -1.4208 C   0  0  0  0  0
    9.7517   -2.2583   -1.6946 N   0  0  0  0  0
    8.4816   -1.9522   -1.3286 C   0  0  0  0  0
    1.4723    3.2771    0.8082 N   0  0  0  0  0
    1.1067    4.5995    0.9301 C   0  0  0  0  0
    1.8540    5.5642    1.0129 O   0  0  0  0  0
   -0.3687    4.8001    0.9863 C   0  0  0  0  0
   -1.1180    4.0085    1.8765 C   0  0  0  0  0
   -2.5053    4.1437    1.9481 C   0  0  0  0  0
   -3.1534    5.0778    1.1442 C   0  0  0  0  0
   -2.4151    5.8757    0.2673 C   0  0  0  0  0
   -1.0231    5.7408    0.1819 C   0  0  0  0  0
   -0.2072    6.7200   -0.9831 Cl  0  0  0  0  0
    2.2866   -0.8751    1.9029 H   0  0  0  0  0
    2.0468   -1.3201    0.1668 H   0  0  0  0  0
    0.6617   -1.0525    1.2303 H   0  0  0  0  0
    3.9364    4.5383    0.7801 H   0  0  0  0  0
    6.0761    3.4156    0.4478 H   0  0  0  0  0
    4.0742   -0.3885    0.2370 H   0  0  0  0  0
    7.3033    1.4532    0.0022 H   0  0  0  0  0
   11.1100    0.6367   -0.5988 H   0  0  0  0  0
   11.6945   -1.5472   -1.7040 H   0  0  0  0  0
    7.7307   -2.7045   -1.5490 H   0  0  0  0  0
    0.7377    2.5787    0.7352 H   0  0  0  0  0
   -0.6240    3.2908    2.5285 H   0  0  0  0  0
   -3.0787    3.5243    2.6343 H   0  0  0  0  0
   -4.2344    5.1873    1.1992 H   0  0  0  0  0
   -2.9345    6.5997   -0.3570 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  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 18  1  0  0  0
  5  6  2  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  8 33  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 35  1  0  0  0
 15 16  1  0  0  0
 15 36  1  0  0  0
 16 17  2  0  0  0
 17 37  1  0  0  0
 18 19  1  0  0  0
 18 38  1  0  0  0
 19 21  1  0  0  0
 19 20  2  0  0  0
 21 22  2  0  0  0
 21 26  1  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
 26 27  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1672235

>  <PubChem CID>
51003233

>  <Formula>
C19H15ClN4O3

>  <Molecular Weight>
382.804000

>  <IUPAC Name>
N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]pyrazine-2-carboxamide

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=C(C=CC(=C1)NC(=O)C2=NC=CN=C2)NC(=O)C3=CC=CC=C3Cl

>  <Isomeric SMILES>
COC1=C(C=CC(=C1)NC(=O)C2=NC=CN=C2)NC(=O)C3=CC=CC=C3Cl

>  <InChI Std. ID>
InChI=1S/C19H15ClN4O3/c1-27-17-10-12(23-19(26)16-11-21-8-9-22-16)6-7-15(17)24-18(25)13-4-2-3-5-14(13)20/h2-11H,1H3,(H,23,26)(H,24,25)

>  <InChI Key>
BGCVQXIDOHQTKF-UHFFFAOYSA-N

