
 CHEMBL53467

 38 40  0  0  0  0  0  0  0  0999 V2000
    3.3705    0.4457   -0.9406 C   0  0  0  0  0
    4.6900    0.6961   -1.5244 N   0  0  0  0  0
    4.7961    0.0047   -2.8133 C   0  0  0  0  0
    4.9482    2.1401   -1.7115 C   0  0  0  0  0
    5.0675    2.9284   -0.3951 C   0  0  0  0  0
    5.3990    4.3721   -0.6295 C   0  0  0  0  0
    4.4928    5.3870   -0.8711 C   0  0  0  0  0
    5.1871    6.5546   -1.0313 N   0  0  0  0  0
    6.5363    6.3292   -0.8957 C   0  0  0  0  0
    6.7014    4.9678   -0.6438 C   0  0  0  0  0
    8.0097    4.4714   -0.4669 C   0  0  0  0  0
    9.1106    5.3471   -0.5352 C   0  0  0  0  0
    8.8975    6.7063   -0.7992 C   0  0  0  0  0
    7.6104    7.2208   -0.9813 C   0  0  0  0  0
   10.5114    4.8166   -0.3537 C   0  0  0  0  0
   11.0965    4.4141   -1.6174 N   0  0  0  0  0
   11.8470    5.2498   -2.3712 N   0  0  0  0  0
   12.1967    4.4101   -3.3514 C   0  0  0  0  0
   11.7288    3.1407   -3.1893 N   0  0  0  0  0
   11.0342    3.1429   -2.0594 N   0  0  0  0  0
    3.3079    0.8369    0.0796 H   0  0  0  0  0
    3.1839   -0.6312   -0.8592 H   0  0  0  0  0
    2.5637    0.8885   -1.5354 H   0  0  0  0  0
    4.6473   -1.0731   -2.6856 H   0  0  0  0  0
    5.7970    0.1322   -3.2391 H   0  0  0  0  0
    4.0613    0.3707   -3.5396 H   0  0  0  0  0
    4.1718    2.5887   -2.3468 H   0  0  0  0  0
    5.8969    2.2579   -2.2532 H   0  0  0  0  0
    5.8356    2.4720    0.2416 H   0  0  0  0  0
    4.1278    2.8827    0.1678 H   0  0  0  0  0
    3.4133    5.3742   -0.9428 H   0  0  0  0  0
    4.7740    7.4573   -1.2217 H   0  0  0  0  0
    8.1581    3.4100   -0.2822 H   0  0  0  0  0
    9.7448    7.3872   -0.8744 H   0  0  0  0  0
    7.4580    8.2757   -1.1862 H   0  0  0  0  0
   10.5211    3.9503    0.3173 H   0  0  0  0  0
   11.1635    5.5765    0.0934 H   0  0  0  0  0
   12.8045    4.7228   -4.1885 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  4 28  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  5 30  1  0  0  0
  6 10  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 31  1  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 33  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 34  1  0  0  0
 14 35  1  0  0  0
 15 16  1  0  0  0
 15 36  1  0  0  0
 15 37  1  0  0  0
 16 17  1  0  0  0
 16 20  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 18 38  1  0  0  0
 19 20  2  0  0  0
M  END

>  <Chemical Name>
CHEMBL53467

>  <PubChem CID>
10355779

>  <Formula>
C14H18N6

>  <Molecular Weight>
270.340000

>  <IUPAC Name>
N,N-dimethyl-2-[5-(tetrazol-2-ylmethyl)-1H-indol-3-yl]ethanamine

>  <XlogP>
1.800

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN(C)CCC1=CNC2=C1C=C(C=C2)CN3N=CN=N3

>  <Isomeric SMILES>
CN(C)CCC1=CNC2=C1C=C(C=C2)CN3N=CN=N3

>  <InChI Std. ID>
InChI=1S/C14H18N6/c1-19(2)6-5-12-8-15-14-4-3-11(7-13(12)14)9-20-17-10-16-18-20/h3-4,7-8,10,15H,5-6,9H2,1-2H3

>  <InChI Key>
CCDMZRADLKWXMG-UHFFFAOYSA-N

