
 CHEMBL38503

 57 60  0  0  0  0  0  0  0  0999 V2000
    3.7838   -0.8263    2.8749 C   0  0  0  0  0
    3.8003   -0.3914    1.4746 N   0  0  0  0  0
    2.4810   -0.6086    0.8785 C   0  0  0  0  0
    4.2165    1.0249    1.4010 C   0  0  0  0  0
    4.4087    1.5545   -0.0320 C   0  0  0  0  0
    4.9003    2.9715   -0.0456 C   0  0  0  0  0
    4.1147    4.1084   -0.0528 C   0  0  0  0  0
    4.9393    5.2004   -0.0606 N   0  0  0  0  0
    6.2553    4.8029   -0.0583 C   0  0  0  0  0
    6.2632    3.4094   -0.0513 C   0  0  0  0  0
    7.5075    2.7445   -0.0474 C   0  0  0  0  0
    8.7014    3.4871   -0.0555 C   0  0  0  0  0
    8.6474    4.8851   -0.0556 C   0  0  0  0  0
    7.4266    5.5678   -0.0598 C   0  0  0  0  0
   10.0316    2.7758   -0.0207 C   0  0  0  0  0
   10.4744    2.4995    1.4158 C   0  0  0  0  0
   11.8209    1.7802    1.4515 C   0  0  0  0  0
   12.2595    1.5516    2.8468 C   0  0  0  0  0
   12.8851    2.3631    3.6680 N   0  0  0  0  0
   13.0091    1.5870    4.7971 C   0  0  0  0  0
   12.4531    0.3689    4.7046 N   0  0  0  0  0
   11.9638    0.3393    3.3976 O   0  0  0  0  0
   13.6465    2.0838    6.0409 C   0  0  0  0  0
   15.1248    1.8133    5.8944 C   0  0  0  0  0
   15.9673    2.7593    5.2898 C   0  0  0  0  0
   17.3324    2.5052    5.1477 C   0  0  0  0  0
   17.8697    1.3039    5.6065 C   0  0  0  0  0
   17.0433    0.3540    6.2042 C   0  0  0  0  0
   15.6780    0.6058    6.3476 C   0  0  0  0  0
    4.7784   -0.7228    3.3242 H   0  0  0  0  0
    3.5194   -1.8878    2.9469 H   0  0  0  0  0
    3.0705   -0.2522    3.4777 H   0  0  0  0  0
    2.1636   -1.6501    1.0097 H   0  0  0  0  0
    2.5038   -0.4391   -0.2027 H   0  0  0  0  0
    1.7150    0.0399    1.3195 H   0  0  0  0  0
    5.1759    1.1315    1.9246 H   0  0  0  0  0
    3.4991    1.6625    1.9362 H   0  0  0  0  0
    3.4633    1.5169   -0.5862 H   0  0  0  0  0
    5.1157    0.9141   -0.5738 H   0  0  0  0  0
    3.0397    4.2304   -0.0532 H   0  0  0  0  0
    4.6324    6.1628   -0.0668 H   0  0  0  0  0
    7.5352    1.6582   -0.0348 H   0  0  0  0  0
    9.5687    5.4651   -0.0490 H   0  0  0  0  0
    7.3975    6.6525   -0.0606 H   0  0  0  0  0
   10.7842    3.3821   -0.5405 H   0  0  0  0  0
    9.9577    1.8372   -0.5843 H   0  0  0  0  0
    9.7177    1.8934    1.9320 H   0  0  0  0  0
   10.5425    3.4440    1.9724 H   0  0  0  0  0
   12.5794    2.3794    0.9342 H   0  0  0  0  0
   11.7516    0.8237    0.9204 H   0  0  0  0  0
   13.2460    1.5802    6.9283 H   0  0  0  0  0
   13.4622    3.1560    6.1711 H   0  0  0  0  0
   15.5597    3.6962    4.9150 H   0  0  0  0  0
   17.9749    3.2424    4.6745 H   0  0  0  0  0
   18.9319    1.1048    5.4919 H   0  0  0  0  0
   17.4608   -0.5860    6.5546 H   0  0  0  0  0
   15.0443   -0.1507    6.8062 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  4  5  1  0  0  0
  4 36  1  0  0  0
  4 37  1  0  0  0
  5  6  1  0  0  0
  5 38  1  0  0  0
  5 39  1  0  0  0
  6 10  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 40  1  0  0  0
  8  9  1  0  0  0
  8 41  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 42  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 43  1  0  0  0
 14 44  1  0  0  0
 15 16  1  0  0  0
 15 45  1  0  0  0
 15 46  1  0  0  0
 16 17  1  0  0  0
 16 47  1  0  0  0
 16 48  1  0  0  0
 17 18  1  0  0  0
 17 49  1  0  0  0
 17 50  1  0  0  0
 18 22  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 20 21  2  0  0  0
 20 23  1  0  0  0
 21 22  1  0  0  0
 23 24  1  0  0  0
 23 51  1  0  0  0
 23 52  1  0  0  0
 24 25  2  0  0  0
 24 29  1  0  0  0
 25 26  1  0  0  0
 25 53  1  0  0  0
 26 27  2  0  0  0
 26 54  1  0  0  0
 27 28  1  0  0  0
 27 55  1  0  0  0
 28 29  2  0  0  0
 28 56  1  0  0  0
 29 57  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL38503

>  <PubChem CID>
11741003

>  <Formula>
C24H28N4O

>  <Molecular Weight>
388.515000

>  <IUPAC Name>
2-[5-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]-N,N-dimethylethanamine

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN(C)CCC1=CNC2=C1C=C(C=C2)CCCC3=NC(=NO3)CC4=CC=CC=C4

>  <Isomeric SMILES>
CN(C)CCC1=CNC2=C1C=C(C=C2)CCCC3=NC(=NO3)CC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C24H28N4O/c1-28(2)14-13-20-17-25-22-12-11-19(15-21(20)22)9-6-10-24-26-23(27-29-24)16-18-7-4-3-5-8-18/h3-5,7-8,11-12,15,17,25H,6,9-10,13-14,16H2,1-2H3

>  <InChI Key>
AGJHDCCFMOEMSS-UHFFFAOYSA-N

