
 SB 206553

 38 41  0  0  0  0  0  0  0  0999 V2000
   -0.0563   -0.6762   -0.3295 C   0  0  0  0  0
    1.3528   -0.6467   -0.0060 N   0  0  0  0  0
    2.0887   -1.7405    0.3649 C   0  0  0  0  0
    3.3767   -1.3217    0.6043 C   0  0  0  0  0
    3.4333    0.0769    0.3518 C   0  0  0  0  0
    4.4759    1.0275    0.4191 C   0  0  0  0  0
    4.1888    2.3402    0.0643 C   0  0  0  0  0
    2.8888    2.7277   -0.2582 C   0  0  0  0  0
    2.8179    4.1980   -0.5421 C   0  0  0  0  0
    4.2146    4.6641   -0.1200 C   0  0  0  0  0
    5.0422    3.4597    0.0087 N   0  0  0  0  0
    6.4150    3.5654    0.1507 C   0  0  0  0  0
    6.9461    4.6411    0.4185 O   0  0  0  0  0
    7.1083    2.4104   -0.1198 N   0  0  0  0  0
    8.4841    2.1741    0.0516 C   0  0  0  0  0
    9.3675    3.0244    0.7090 C   0  0  0  0  0
   10.6903    2.7615    0.8784 N   0  0  0  0  0
   11.1514    1.5998    0.3714 C   0  0  0  0  0
   10.3543    0.6835   -0.2921 C   0  0  0  0  0
    9.0018    0.9774   -0.4500 C   0  0  0  0  0
    1.8357    1.8208   -0.3250 C   0  0  0  0  0
    2.1458    0.4839   -0.0236 C   0  0  0  0  0
   -0.4227   -1.7047   -0.2774 H   0  0  0  0  0
   -0.1878   -0.2892   -1.3431 H   0  0  0  0  0
   -0.5888   -0.0557    0.3956 H   0  0  0  0  0
    1.6431   -2.7243    0.4346 H   0  0  0  0  0
    4.1960   -1.9548    0.9186 H   0  0  0  0  0
    5.4491    0.7116    0.7711 H   0  0  0  0  0
    2.6532    4.3668   -1.6112 H   0  0  0  0  0
    2.0375    4.6990    0.0376 H   0  0  0  0  0
    4.6556    5.3531   -0.8492 H   0  0  0  0  0
    4.1928    5.1677    0.8543 H   0  0  0  0  0
    6.5996    1.7415   -0.6776 H   0  0  0  0  0
    9.0503    3.9659    1.1453 H   0  0  0  0  0
   12.2119    1.4181    0.5189 H   0  0  0  0  0
   10.7749   -0.2388   -0.6763 H   0  0  0  0  0
    8.3645    0.2638   -0.9644 H   0  0  0  0  0
    0.8338    2.1311   -0.5983 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  3  4  2  0  0  0
  3 26  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  5  6  2  0  0  0
  5 22  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  7 11  1  0  0  0
  7  8  2  0  0  0
  8 21  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 29  1  0  0  0
  9 30  1  0  0  0
 10 11  1  0  0  0
 10 31  1  0  0  0
 10 32  1  0  0  0
 11 12  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  1  0  0  0
 14 33  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 34  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 18 35  1  0  0  0
 19 20  2  0  0  0
 19 36  1  0  0  0
 20 37  1  0  0  0
 21 22  2  0  0  0
 21 38  1  0  0  0
M  END

>  <Chemical Name>
SB 206553

>  <PubChem CID>
5163

>  <Formula>
C17H16N4O

>  <Molecular Weight>
292.342000

>  <IUPAC Name>
1-methyl-N-pyridin-3-yl-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide

>  <XlogP>
1.700

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN1C=CC2=CC3=C(CCN3C(=O)NC4=CN=CC=C4)C=C21

>  <Isomeric SMILES>
CN1C=CC2=CC3=C(CCN3C(=O)NC4=CN=CC=C4)C=C21

>  <InChI Std. ID>
InChI=1S/C17H16N4O/c1-20-7-4-12-10-16-13(9-15(12)20)5-8-21(16)17(22)19-14-3-2-6-18-11-14/h2-4,6-7,9-11H,5,8H2,1H3,(H,19,22)

>  <InChI Key>
QJQORSLQNXDVGE-UHFFFAOYSA-N

