
 CHEMBL1773104

 70 75  0  0  0  0  0  0  0  0999 V2000
   13.2115    1.1201    0.2981 C   0  0  0  0  0
   11.7684    1.4059    0.2457 C   0  0  0  0  0
   10.6899    0.8283   -0.3773 C   0  0  0  0  0
    9.5876    1.6387   -0.0129 C   0  0  0  0  0
    9.9835    2.6249    0.7953 N   0  0  0  0  0
   11.3440    2.4819    0.9551 O   0  0  0  0  0
    8.2950    1.4084   -0.4346 N   0  0  0  0  0
    7.1691    2.1525   -0.2318 C   0  0  0  0  0
    6.1077    1.7136   -0.6889 O   0  0  0  0  0
    7.1882    3.4407    0.5332 C   0  0  0  0  0
    7.4200    4.7573   -0.6089 S   0  0  0  0  0
    8.5172    4.4606   -1.5081 O   0  0  0  0  0
    6.1284    5.1853   -1.1162 O   0  0  0  0  0
    7.9749    6.1582    0.2460 C   0  0  0  0  0
    8.4339    7.2763   -0.4251 C   0  0  0  0  0
    8.7582    8.2316    0.4967 N   0  0  0  0  0
    8.5942    7.7266    1.7722 C   0  0  0  0  0
    8.8603    8.3120    3.0233 C   0  0  0  0  0
    8.5608    7.5901    4.1774 C   0  0  0  0  0
    7.9931    6.3288    4.0909 C   0  0  0  0  0
    7.7260    5.7513    2.8432 C   0  0  0  0  0
    8.0498    6.4346    1.6472 C   0  0  0  0  0
    9.1977    9.5797    0.1501 C   0  0  0  0  0
    8.0153   10.4961   -0.0555 C   0  0  0  0  0
    7.5006   11.2537    1.0025 C   0  0  0  0  0
    6.3758   12.0545    0.8132 C   0  0  0  0  0
    5.7476   12.1008   -0.4333 C   0  0  0  0  0
    6.2316   11.3505   -1.5163 C   0  0  0  0  0
    7.3753   10.5586   -1.3062 C   0  0  0  0  0
    5.5537   11.3676   -2.8216 C   0  0  0  0  0
    5.1731   12.5499   -3.4510 C   0  0  0  0  0
    4.5477   12.6317   -4.6543 N   0  0  0  0  0
    4.2502   11.4845   -5.2964 C   0  0  0  0  0
    4.6022   10.2519   -4.7480 C   0  0  0  0  0
    5.2523   10.1936   -3.5136 C   0  0  0  0  0
    3.6048   11.5169   -6.5418 N   0  0  0  0  0
    2.2374   10.9518   -6.5139 C   0  0  0  0  0
    1.2161   11.9870   -6.0117 C   0  0  0  0  0
    1.2467   13.1785   -6.8148 O   0  0  0  0  0
    2.5503   13.7837   -6.7435 C   0  0  0  0  0
    3.6475   12.8235   -7.2330 C   0  0  0  0  0
   13.4727    0.2915   -0.3666 H   0  0  0  0  0
   13.5113    0.8511    1.3156 H   0  0  0  0  0
   13.7871    1.9984   -0.0099 H   0  0  0  0  0
   10.7015   -0.0414   -1.0162 H   0  0  0  0  0
    8.1433    0.5925   -1.0132 H   0  0  0  0  0
    7.9453    3.4443    1.3045 H   0  0  0  0  0
    6.2174    3.5781    1.0201 H   0  0  0  0  0
    8.5210    7.4596   -1.4890 H   0  0  0  0  0
    9.2909    9.3044    3.1065 H   0  0  0  0  0
    8.7654    8.0254    5.1526 H   0  0  0  0  0
    7.7531    5.7810    4.9991 H   0  0  0  0  0
    7.2670    4.7703    2.8403 H   0  0  0  0  0
    9.8013    9.5108   -0.7631 H   0  0  0  0  0
    9.8615    9.9502    0.9381 H   0  0  0  0  0
    7.9596   11.2148    1.9874 H   0  0  0  0  0
    5.9734   12.6302    1.6432 H   0  0  0  0  0
    4.8530   12.7113   -0.5422 H   0  0  0  0  0
    7.7715    9.9690   -2.1326 H   0  0  0  0  0
    5.3758   13.5161   -2.9949 H   0  0  0  0  0
    4.3940    9.3339   -5.2881 H   0  0  0  0  0
    5.5105    9.2206   -3.1009 H   0  0  0  0  0
    2.1733   10.0356   -5.9160 H   0  0  0  0  0
    1.9787   10.6744   -7.5433 H   0  0  0  0  0
    0.2058   11.5714   -6.0820 H   0  0  0  0  0
    1.3929   12.2553   -4.9636 H   0  0  0  0  0
    2.5327   14.6718   -7.3836 H   0  0  0  0  0
    2.7235   14.1264   -5.7182 H   0  0  0  0  0
    3.4756   12.6228   -8.2984 H   0  0  0  0  0
    4.6389   13.2879   -7.1649 H   0  0  0  0  0
  1  2  1  0  0  0
  1 42  1  0  0  0
  1 43  1  0  0  0
  1 44  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3 45  1  0  0  0
  4  5  2  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  7  8  1  0  0  0
  7 46  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  1  0  0  0
 10 47  1  0  0  0
 10 48  1  0  0  0
 11 14  1  0  0  0
 11 13  2  0  0  0
 11 12  2  0  0  0
 14 22  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 49  1  0  0  0
 16 17  1  0  0  0
 16 23  1  0  0  0
 17 22  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 18 50  1  0  0  0
 19 20  2  0  0  0
 19 51  1  0  0  0
 20 21  1  0  0  0
 20 52  1  0  0  0
 21 22  2  0  0  0
 21 53  1  0  0  0
 23 24  1  0  0  0
 23 54  1  0  0  0
 23 55  1  0  0  0
 24 25  2  0  0  0
 24 29  1  0  0  0
 25 26  1  0  0  0
 25 56  1  0  0  0
 26 27  2  0  0  0
 26 57  1  0  0  0
 27 28  1  0  0  0
 27 58  1  0  0  0
 28 29  2  0  0  0
 28 30  1  0  0  0
 29 59  1  0  0  0
 30 31  2  0  0  0
 30 35  1  0  0  0
 31 32  1  0  0  0
 31 60  1  0  0  0
 32 33  2  0  0  0
 33 34  1  0  0  0
 33 36  1  0  0  0
 34 35  2  0  0  0
 34 61  1  0  0  0
 35 62  1  0  0  0
 36 41  1  0  0  0
 36 37  1  0  0  0
 37 38  1  0  0  0
 37 63  1  0  0  0
 37 64  1  0  0  0
 38 39  1  0  0  0
 38 65  1  0  0  0
 38 66  1  0  0  0
 39 40  1  0  0  0
 40 41  1  0  0  0
 40 67  1  0  0  0
 40 68  1  0  0  0
 41 69  1  0  0  0
 41 70  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1773104

>  <PubChem CID>
44475953

>  <Formula>
C30H29N5O5S

>  <Molecular Weight>
571.652000

>  <IUPAC Name>
N-(5-methyl-1,2-oxazol-3-yl)-2-[1-[[3-(6-morpholin-4-ylpyridin-3-yl)phenyl]methyl]indol-3-yl]sulfonylacetamide

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1=CC(=NO1)NC(=O)CS(=O)(=O)C2=CN(C3=CC=CC=C32)CC4=CC=CC(=C4)C5=CN=C(C=C5)N6CCOCC6

>  <Isomeric SMILES>
CC1=CC(=NO1)NC(=O)CS(=O)(=O)C2=CN(C3=CC=CC=C32)CC4=CC=CC(=C4)C5=CN=C(C=C5)N6CCOCC6

>  <InChI Std. ID>
InChI=1S/C30H29N5O5S/c1-21-15-28(33-40-21)32-30(36)20-41(37,38)27-19-35(26-8-3-2-7-25(26)27)18-22-5-4-6-23(16-22)24-9-10-29(31-17-24)34-11-13-39-14-12-34/h2-10,15-17,19H,11-14,18,20H2,1H3,(H,32,33,36)

>  <InChI Key>
ADTBCJJKVRFWKL-UHFFFAOYSA-N

