
 CHEMBL208726

 59 62  0  0  0  0  0  0  0  0999 V2000
    7.6966    9.8331   -0.0611 C   0  0  0  0  0
    7.0864    8.7947   -0.8968 N   0  0  0  0  0
    7.8251    8.6811   -2.1563 C   0  0  0  0  0
    7.0526    7.5153   -0.1579 C   0  0  0  0  0
    6.2564    6.4124   -0.8748 C   0  0  0  0  0
    6.1507    5.1614   -0.0286 C   0  0  0  0  0
    7.1563    4.1635    0.0056 C   0  0  0  0  0
    8.4246    4.0134   -0.6293 C   0  0  0  0  0
    8.9803    2.8233   -0.2089 C   0  0  0  0  0
    8.0835    2.2358    0.6462 N   0  0  0  0  0
    6.9769    3.0387    0.8119 C   0  0  0  0  0
    5.8452    2.8487    1.6105 C   0  0  0  0  0
    4.8674    3.8436    1.5867 C   0  0  0  0  0
    5.0148    4.9751    0.7861 C   0  0  0  0  0
   10.2397    2.2336   -0.5246 C   0  0  0  0  0
   11.1900    2.8403   -1.2039 N   0  0  0  0  0
   12.1986    1.9124   -1.2032 C   0  0  0  0  0
   11.9078    0.7626   -0.5839 N   0  0  0  0  0
   10.6067    0.9726   -0.1261 O   0  0  0  0  0
   13.5212    2.1753   -1.8183 C   0  0  0  0  0
   13.5192    1.8981   -3.3211 C   0  0  0  0  0
   14.8753    2.1470   -3.9311 C   0  0  0  0  0
   15.8274    1.1308   -3.9937 C   0  0  0  0  0
   17.0968    1.3742   -4.5393 C   0  0  0  0  0
   17.4706    2.6305   -5.0492 C   0  0  0  0  0
   16.4996    3.6421   -4.9462 C   0  0  0  0  0
   15.2260    3.4105   -4.4045 C   0  0  0  0  0
   18.7474    2.8647   -5.5791 N   0  0  0  0  0
   19.0171    4.1414   -6.2377 C   0  0  0  0  0
   19.4989    1.7229   -6.1004 C   0  0  0  0  0
    7.1250    9.9707    0.8634 H   0  0  0  0  0
    7.6872   10.7990   -0.5785 H   0  0  0  0  0
    8.7327    9.5938    0.2045 H   0  0  0  0  0
    7.8850    9.6544   -2.6569 H   0  0  0  0  0
    7.3113    8.0163   -2.8577 H   0  0  0  0  0
    8.8454    8.3103   -2.0057 H   0  0  0  0  0
    6.5752    7.6900    0.8163 H   0  0  0  0  0
    8.0727    7.1675    0.0548 H   0  0  0  0  0
    6.7316    6.1419   -1.8244 H   0  0  0  0  0
    5.2512    6.7731   -1.1268 H   0  0  0  0  0
    8.8886    4.7101   -1.3164 H   0  0  0  0  0
    8.2208    1.3502    1.1136 H   0  0  0  0  0
    5.7262    1.9679    2.2328 H   0  0  0  0  0
    3.9760    3.7342    2.2009 H   0  0  0  0  0
    4.2286    5.7286    0.7946 H   0  0  0  0  0
   14.2860    1.5629   -1.3227 H   0  0  0  0  0
   13.7990    3.2203   -1.6298 H   0  0  0  0  0
   12.7717    2.5250   -3.8251 H   0  0  0  0  0
   13.2155    0.8617   -3.5197 H   0  0  0  0  0
   15.6001    0.1371   -3.6138 H   0  0  0  0  0
   17.7948    0.5429   -4.5389 H   0  0  0  0  0
   16.7046    4.6509   -5.2909 H   0  0  0  0  0
   14.5167    4.2337   -4.3565 H   0  0  0  0  0
   18.8750    4.9814   -5.5489 H   0  0  0  0  0
   18.3794    4.2737   -7.1189 H   0  0  0  0  0
   20.0595    4.2007   -6.5710 H   0  0  0  0  0
   19.7432    1.0071   -5.3087 H   0  0  0  0  0
   20.4604    2.0408   -6.5200 H   0  0  0  0  0
   18.9424    1.2166   -6.8974 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  4  5  1  0  0  0
  4 37  1  0  0  0
  4 38  1  0  0  0
  5  6  1  0  0  0
  5 39  1  0  0  0
  5 40  1  0  0  0
  6 14  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 11  1  0  0  0
  8  9  2  0  0  0
  8 41  1  0  0  0
  9 10  1  0  0  0
  9 15  1  0  0  0
 10 11  1  0  0  0
 10 42  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 43  1  0  0  0
 13 14  2  0  0  0
 13 44  1  0  0  0
 14 45  1  0  0  0
 15 19  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 20  1  0  0  0
 18 19  1  0  0  0
 20 21  1  0  0  0
 20 46  1  0  0  0
 20 47  1  0  0  0
 21 22  1  0  0  0
 21 48  1  0  0  0
 21 49  1  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
 23 50  1  0  0  0
 24 25  2  0  0  0
 24 51  1  0  0  0
 25 26  1  0  0  0
 25 28  1  0  0  0
 26 27  2  0  0  0
 26 52  1  0  0  0
 27 53  1  0  0  0
 28 30  1  0  0  0
 28 29  1  0  0  0
 29 54  1  0  0  0
 29 55  1  0  0  0
 29 56  1  0  0  0
 30 57  1  0  0  0
 30 58  1  0  0  0
 30 59  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL208726

>  <PubChem CID>
136043798

>  <Formula>
C24H29N5O

>  <Molecular Weight>
403.530000

>  <IUPAC Name>
4-[2-[5-[4-[2-(dimethylamino)ethyl]-1H-indol-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-N,N-dimethylaniline

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN(C)CCC1=C2C=C(NC2=CC=C1)C3=NC(=NO3)CCC4=CC=C(C=C4)N(C)C

>  <Isomeric SMILES>
CN(C)CCC1=C2C=C(NC2=CC=C1)C3=NC(=NO3)CCC4=CC=C(C=C4)N(C)C

>  <InChI Std. ID>
InChI=1S/C24H29N5O/c1-28(2)15-14-18-6-5-7-21-20(18)16-22(25-21)24-26-23(27-30-24)13-10-17-8-11-19(12-9-17)29(3)4/h5-9,11-12,16,25H,10,13-15H2,1-4H3

>  <InChI Key>
ANHAYCHRLRNJNI-UHFFFAOYSA-N

