
 SB 242084

 47 50  0  0  0  0  0  0  0  0999 V2000
    0.6098    1.2320   -4.3608 C   0  0  0  0  0
    1.9887    1.1920   -3.7620 C   0  0  0  0  0
    2.8412    2.3185   -3.7679 C   0  0  0  0  0
    4.1302    2.2633   -3.2177 C   0  0  0  0  0
    4.5678    1.0701   -2.6699 C   0  0  0  0  0
    3.7340   -0.0489   -2.6688 C   0  0  0  0  0
    2.4542   -0.0075   -3.2049 C   0  0  0  0  0
    4.3863   -1.2230   -2.0197 C   0  0  0  0  0
    5.7782   -0.6741   -1.7004 C   0  0  0  0  0
    5.8069    0.7553   -2.0686 N   0  0  0  0  0
    6.8761    1.6362   -1.9020 C   0  0  0  0  0
    6.8488    2.8140   -2.2488 O   0  0  0  0  0
    7.9770    1.0532   -1.2944 N   0  0  0  0  0
    9.2104    1.6564   -0.9754 C   0  0  0  0  0
    9.5831    2.9611   -1.2828 C   0  0  0  0  0
   10.7782    3.5113   -0.9382 N   0  0  0  0  0
   11.6339    2.7345   -0.2405 C   0  0  0  0  0
   11.3712    1.4146    0.0848 C   0  0  0  0  0
   10.1422    0.8739   -0.2866 C   0  0  0  0  0
   12.8737    3.2208    0.1545 O   0  0  0  0  0
   13.0410    4.5764    0.3020 C   0  0  0  0  0
   14.2762    5.1303   -0.0482 C   0  0  0  0  0
   14.5627    6.4505    0.1073 N   0  0  0  0  0
   13.5965    7.2353    0.6314 C   0  0  0  0  0
   12.3595    6.7670    1.0369 C   0  0  0  0  0
   12.0862    5.4119    0.8834 C   0  0  0  0  0
   15.3741    4.2734   -0.6074 C   0  0  0  0  0
    2.3285    3.8176   -4.4635 Cl  0  0  0  0  0
    0.0329    2.0692   -3.9557 H   0  0  0  0  0
    0.0493    0.3189   -4.1310 H   0  0  0  0  0
    0.6731    1.3199   -5.4499 H   0  0  0  0  0
    4.7604    3.1457   -3.2347 H   0  0  0  0  0
    1.8275   -0.8953   -3.1890 H   0  0  0  0  0
    4.4429   -2.0829   -2.6937 H   0  0  0  0  0
    3.8573   -1.5063   -1.1042 H   0  0  0  0  0
    6.5517   -1.1962   -2.2763 H   0  0  0  0  0
    6.0086   -0.7835   -0.6348 H   0  0  0  0  0
    7.8812    0.0964   -1.0029 H   0  0  0  0  0
    8.9363    3.6402   -1.8288 H   0  0  0  0  0
   12.1019    0.8230    0.6246 H   0  0  0  0  0
    9.9253   -0.1569   -0.0224 H   0  0  0  0  0
   13.8544    8.2861    0.7252 H   0  0  0  0  0
   11.6225    7.4390    1.4609 H   0  0  0  0  0
   11.1258    5.0227    1.2075 H   0  0  0  0  0
   15.0527    3.7999   -1.5400 H   0  0  0  0  0
   15.6562    3.5000    0.1142 H   0  0  0  0  0
   16.2649    4.8733   -0.8212 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  4  5  2  0  0  0
  4 32  1  0  0  0
  5  6  1  0  0  0
  5 10  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  7 33  1  0  0  0
  8  9  1  0  0  0
  8 34  1  0  0  0
  8 35  1  0  0  0
  9 10  1  0  0  0
  9 36  1  0  0  0
  9 37  1  0  0  0
 10 11  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  1  0  0  0
 13 38  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 39  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  2  0  0  0
 18 40  1  0  0  0
 19 41  1  0  0  0
 20 21  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 27  1  0  0  0
 23 24  2  0  0  0
 24 25  1  0  0  0
 24 42  1  0  0  0
 25 26  2  0  0  0
 25 43  1  0  0  0
 26 44  1  0  0  0
 27 45  1  0  0  0
 27 46  1  0  0  0
 27 47  1  0  0  0
M  END

>  <Chemical Name>
SB 242084

>  <PubChem CID>
3644637

>  <Formula>
C21H19ClN4O2

>  <Molecular Weight>
394.859000

>  <IUPAC Name>
6-chloro-5-methyl-N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-2,3-dihydroindole-1-carboxamide

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(C=C2C(=C1)CCN2C(=O)NC3=CN=C(C=C3)OC4=C(N=CC=C4)C)Cl

>  <Isomeric SMILES>
CC1=C(C=C2C(=C1)CCN2C(=O)NC3=CN=C(C=C3)OC4=C(N=CC=C4)C)Cl

>  <InChI Std. ID>
InChI=1S/C21H19ClN4O2/c1-13-10-15-7-9-26(18(15)11-17(13)22)21(27)25-16-5-6-20(24-12-16)28-19-4-3-8-23-14(19)2/h3-6,8,10-12H,7,9H2,1-2H3,(H,25,27)

>  <InChI Key>
GIUZEIJUFOPTMR-UHFFFAOYSA-N

