
 SB 200646 hydrochloride

 36 37  0  0  0  0  0  0  0  0999 V2000
    2.0535    1.4614    0.0752 C   0  0  0  0  0
    3.3870    0.9694    0.4136 N   0  0  0  0  0
    4.4176    1.7530    0.8101 C   0  0  0  0  0
    5.5414    0.9724    1.0455 C   0  0  0  0  0
    5.1600   -0.3245    0.7775 C   0  0  0  0  0
    3.8480   -0.3011    0.3997 C   0  0  0  0  0
    3.1726   -1.4761    0.0643 C   0  0  0  0  0
    3.8763   -2.6968    0.1282 C   0  0  0  0  0
    5.2530   -2.7265    0.5244 C   0  0  0  0  0
    5.8892   -1.5035    0.8448 C   0  0  0  0  0
    6.0443   -3.9260    0.6088 N   0  0  0  0  0
    5.6032   -5.2228    0.5601 C   0  0  0  0  0
    4.4182   -5.4690    0.4441 O   0  0  0  0  0
    6.5225   -6.2352    0.6771 N   0  0  0  0  0
    6.2744   -7.6542    0.7196 C   0  0  0  0  0
    4.9902   -8.2499    0.6482 C   0  0  0  0  0
    4.8588   -9.6031    0.7197 N   0  0  0  0  0
    5.9304  -10.4251    0.8594 C   0  0  0  0  0
    7.2123   -9.8906    0.9303 C   0  0  0  0  0
    7.3822   -8.5099    0.8600 C   0  0  0  0  0
   -0.7423   -2.3065    2.6550 Cl  0  0  0  0  0
    1.3754    0.6400   -0.2263 H   0  0  0  0  0
    2.1287    2.1812   -0.7675 H   0  0  0  0  0
    1.6138    1.9786    0.9536 H   0  0  0  0  0
    4.3610    2.8281    0.9221 H   0  0  0  0  0
    6.5152    1.3132    1.3717 H   0  0  0  0  0
    2.1356   -1.4660   -0.2399 H   0  0  0  0  0
    3.3348   -3.5832   -0.1473 H   0  0  0  0  0
    6.9287   -1.4791    1.1483 H   0  0  0  0  0
    7.0551   -3.7880    0.7625 H   0  0  0  0  0
    7.5103   -5.9505    0.7658 H   0  0  0  0  0
    4.0896   -7.6774    0.5445 H   0  0  0  0  0
    5.7858  -11.4955    0.9173 H   0  0  0  0  0
    8.0707  -10.5409    1.0425 H   0  0  0  0  0
    8.3835   -8.1010    0.9203 H   0  0  0  0  0
   -0.7784   -1.7890    1.3811 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  6  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 27  1  0  0  0
  8  9  1  0  0  0
  8 28  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 10 29  1  0  0  0
 11 12  1  0  0  0
 11 30  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  1  0  0  0
 14 31  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 32  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 18 33  1  0  0  0
 19 20  2  0  0  0
 19 34  1  0  0  0
 20 35  1  0  0  0
 21 36  1  0  0  0
M  END

>  <Chemical Name>
SB 200646 hydrochloride

>  <PubChem CID>
5311422

>  <Formula>
C15H15ClN4O

>  <Molecular Weight>
302.762000

>  <IUPAC Name>
1-(1-methylindol-5-yl)-3-pyridin-3-ylurea;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN1C=CC2=C1C=CC(=C2)NC(=O)NC3=CN=CC=C3.Cl

>  <Isomeric SMILES>
CN1C=CC2=C1C=CC(=C2)NC(=O)NC3=CN=CC=C3.Cl

>  <InChI Std. ID>
InChI=1S/C15H14N4O.ClH/c1-19-8-6-11-9-12(4-5-14(11)19)17-15(20)18-13-3-2-7-16-10-13;/h2-10H,1H3,(H2,17,18,20);1H

>  <InChI Key>
IGRYPUQJEDJLHC-UHFFFAOYSA-N

