
 CHEMBL2035508

 46 49  0  0  0  0  0  0  0  0999 V2000
    2.4824    1.9969    2.1529 C   0  0  0  0  0
    3.3406    2.2348    0.8975 C   0  0  0  0  0
    4.5981    3.0160    1.3091 C   0  0  0  0  0
    3.6441    0.9263    0.0871 C   0  0  0  0  0
    4.2649   -0.1223    1.0120 C   0  0  0  0  0
    5.3482   -0.0663    1.5719 O   0  0  0  0  0
    3.3681   -1.1242    1.1416 N   0  0  0  0  0
    2.2880   -0.9091    0.3780 C   0  0  0  0  0
    1.3347   -1.6613    0.2640 O   0  0  0  0  0
    2.3762    0.3020   -0.2409 O   0  0  0  0  0
    4.3955    1.1047   -1.2248 C   0  0  0  0  0
    4.4403    2.2457   -1.9451 C   0  0  0  0  0
    5.1971    2.3626   -3.1695 C   0  0  0  0  0
    5.8950    1.3140   -3.6228 C   0  0  0  0  0
    5.8582    0.1303   -2.9374 N   0  0  0  0  0
    5.1225   -0.0834   -1.7988 C   0  0  0  0  0
    5.0536   -1.1999   -1.2990 O   0  0  0  0  0
    6.6819    1.3848   -4.8562 C   0  0  0  0  0
    8.0080    1.8417   -4.8156 C   0  0  0  0  0
    8.7552    1.9183   -6.0082 C   0  0  0  0  0
    8.1557    1.5359   -7.2120 C   0  0  0  0  0
    6.8299    1.0787   -7.2690 C   0  0  0  0  0
    6.1072    1.0088   -6.0731 C   0  0  0  0  0
    9.1021    1.7103   -8.2013 N   0  0  0  0  0
   10.2676    2.1915   -7.6642 C   0  0  0  0  0
   10.0830    2.3277   -6.3078 C   0  0  0  0  0
    8.9081    1.4388   -9.6083 C   0  0  0  0  0
    1.5410    1.4966    1.9081 H   0  0  0  0  0
    2.2271    2.9519    2.6263 H   0  0  0  0  0
    3.0118    1.3946    2.8984 H   0  0  0  0  0
    2.7319    2.8890    0.2587 H   0  0  0  0  0
    5.2106    2.4548    2.0211 H   0  0  0  0  0
    4.3180    3.9583    1.7935 H   0  0  0  0  0
    5.2284    3.2730    0.4544 H   0  0  0  0  0
    3.5337   -1.9771    1.6468 H   0  0  0  0  0
    3.9106    3.1419   -1.6385 H   0  0  0  0  0
    5.1871    3.3134   -3.6946 H   0  0  0  0  0
    6.3596   -0.6712   -3.3011 H   0  0  0  0  0
    8.4632    2.1361   -3.8738 H   0  0  0  0  0
    6.3681    0.7856   -8.2062 H   0  0  0  0  0
    5.0777    0.6557   -6.1017 H   0  0  0  0  0
   11.1304    2.3984   -8.2839 H   0  0  0  0  0
   10.8229    2.6859   -5.6043 H   0  0  0  0  0
    8.2702    0.5595   -9.7244 H   0  0  0  0  0
    9.8778    1.2423  -10.0734 H   0  0  0  0  0
    8.4417    2.3170  -10.0615 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  4  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  4 10  1  0  0  0
  4  5  1  0  0  0
  4 11  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7  8  1  0  0  0
  7 35  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 36  1  0  0  0
 13 14  2  0  0  0
 13 37  1  0  0  0
 14 15  1  0  0  0
 14 18  1  0  0  0
 15 16  1  0  0  0
 15 38  1  0  0  0
 16 17  2  0  0  0
 18 23  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 19 39  1  0  0  0
 20 21  2  0  0  0
 20 26  1  0  0  0
 21 22  1  0  0  0
 21 24  1  0  0  0
 22 23  2  0  0  0
 22 40  1  0  0  0
 23 41  1  0  0  0
 24 25  1  0  0  0
 24 27  1  0  0  0
 25 26  2  0  0  0
 25 42  1  0  0  0
 26 43  1  0  0  0
 27 44  1  0  0  0
 27 45  1  0  0  0
 27 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2035508

>  <PubChem CID>
49850347

>  <Formula>
C20H19N3O4

>  <Molecular Weight>
365.389000

>  <IUPAC Name>
5-[6-(1-methylindol-5-yl)-2-oxo-1H-pyridin-3-yl]-5-propan-2-yl-1,3-oxazolidine-2,4-dione

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)C1(C(=O)NC(=O)O1)C2=CC=C(NC2=O)C3=CC4=C(C=C3)N(C=C4)C

>  <Isomeric SMILES>
CC(C)C1(C(=O)NC(=O)O1)C2=CC=C(NC2=O)C3=CC4=C(C=C3)N(C=C4)C

>  <InChI Std. ID>
InChI=1S/C20H19N3O4/c1-11(2)20(18(25)22-19(26)27-20)14-5-6-15(21-17(14)24)12-4-7-16-13(10-12)8-9-23(16)3/h4-11H,1-3H3,(H,21,24)(H,22,25,26)

>  <InChI Key>
UFGZUAACSOMAKB-UHFFFAOYSA-N

