
 CHEMBL211310

 54 57  0  0  0  0  0  0  0  0999 V2000
    8.4636    7.3792   -2.9444 C   0  0  0  0  0
    8.6088    5.8962   -2.7744 C   0  0  0  0  0
    7.8004    5.1929   -1.8752 C   0  0  0  0  0
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    9.7310    3.8204   -3.3454 C   0  0  0  0  0
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    9.0710    1.6237   -2.2897 C   0  0  0  0  0
   10.0425    1.2794   -1.1609 C   0  0  0  0  0
   10.2120   -0.1870   -1.0235 C   0  0  0  0  0
    9.4271   -0.9303   -0.2355 N   0  0  0  0  0
    9.9127   -2.2239   -0.4376 O   0  0  0  0  0
   10.9456   -2.1264   -1.3334 C   0  0  0  0  0
   11.1648   -0.8856   -1.7204 N   0  0  0  0  0
   11.6990   -3.2386   -1.8056 C   0  0  0  0  0
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   12.5826   -5.2767   -2.2766 C   0  0  0  0  0
   12.9412   -6.6404   -2.4082 C   0  0  0  0  0
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   14.3745   -4.6210   -3.8217 C   0  0  0  0  0
   13.2995   -4.3096   -2.9838 C   0  0  0  0  0
   12.7403   -3.0884   -2.6839 N   0  0  0  0  0
   12.2313   -7.7614   -1.6775 C   0  0  0  0  0
   12.9040   -8.0670   -0.3285 C   0  0  0  0  0
   12.2329   -9.1310    0.4469 N   0  0  0  0  0
   12.3055  -10.4300   -0.2255 C   0  0  0  0  0
   12.8442   -9.2322    1.7761 C   0  0  0  0  0
    7.5574    7.7513   -2.4551 H   0  0  0  0  0
    8.3922    7.6345   -4.0069 H   0  0  0  0  0
    9.3253    7.8936   -2.5079 H   0  0  0  0  0
    7.0452    5.7135   -1.2906 H   0  0  0  0  0
    7.3036    3.2867   -1.0187 H   0  0  0  0  0
   10.4915    3.3016   -3.9247 H   0  0  0  0  0
   10.2287    5.7305   -4.1960 H   0  0  0  0  0
    9.4152    1.1850   -3.2360 H   0  0  0  0  0
    8.0880    1.1721   -2.1000 H   0  0  0  0  0
    9.6872    1.7013   -0.2121 H   0  0  0  0  0
   11.0214    1.7365   -1.3528 H   0  0  0  0  0
   10.8493   -5.0335   -0.8735 H   0  0  0  0  0
   14.3410   -7.9904   -3.3650 H   0  0  0  0  0
   15.5636   -6.2447   -4.5786 H   0  0  0  0  0
   14.9172   -3.8527   -4.3625 H   0  0  0  0  0
   13.0473   -2.1987   -3.0535 H   0  0  0  0  0
   12.2226   -8.6434   -2.3280 H   0  0  0  0  0
   11.1810   -7.4878   -1.5186 H   0  0  0  0  0
   12.8905   -7.1427    0.2656 H   0  0  0  0  0
   13.9617   -8.3189   -0.4855 H   0  0  0  0  0
   11.7206  -10.4291   -1.1502 H   0  0  0  0  0
   11.8689  -11.2154    0.4020 H   0  0  0  0  0
   13.3365  -10.7158   -0.4628 H   0  0  0  0  0
   12.7480   -8.2855    2.3193 H   0  0  0  0  0
   13.9074   -9.4945    1.7227 H   0  0  0  0  0
   12.3323   -9.9903    2.3798 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 32  1  0  0  0
  4  5  2  0  0  0
  4 33  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 34  1  0  0  0
  7 35  1  0  0  0
  8  9  1  0  0  0
  8 36  1  0  0  0
  8 37  1  0  0  0
  9 10  1  0  0  0
  9 38  1  0  0  0
  9 39  1  0  0  0
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 18 24  1  0  0  0
 19 20  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL211310

>  <PubChem CID>
136043796

>  <Formula>
C23H26N4O

>  <Molecular Weight>
374.488000

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

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC=C(C=C1)CCC2=NOC(=N2)C3=CC4=C(C=CC=C4N3)CCN(C)C

>  <Isomeric SMILES>
CC1=CC=C(C=C1)CCC2=NOC(=N2)C3=CC4=C(C=CC=C4N3)CCN(C)C

>  <InChI Std. ID>
InChI=1S/C23H26N4O/c1-16-7-9-17(10-8-16)11-12-22-25-23(28-26-22)21-15-19-18(13-14-27(2)3)5-4-6-20(19)24-21/h4-10,15,24H,11-14H2,1-3H3

>  <InChI Key>
BKACHYMVJKEMDI-UHFFFAOYSA-N

