
 CHEMBL2443010

 52 54  0  0  0  0  0  0  0  0999 V2000
    7.3720    3.3442   -0.5482 C   0  0  0  0  0
    6.4772    2.2537   -0.7190 O   0  0  0  0  0
    5.1811    2.3971   -0.2876 C   0  0  0  0  0
    4.7117    3.5785    0.3145 C   0  0  0  0  0
    3.3945    3.6861    0.7641 C   0  0  0  0  0
    2.5269    2.6160    0.6157 C   0  0  0  0  0
    2.9819    1.4391    0.0222 C   0  0  0  0  0
    4.3092    1.2896   -0.4383 C   0  0  0  0  0
    4.6333    0.0420   -1.0101 N   0  0  0  0  0
    4.6812   -1.0529   -0.0141 C   0  0  0  0  0
    4.7344   -2.4245   -0.7312 C   0  0  0  0  0
    5.8205   -2.5855   -1.7333 N   0  0  0  0  0
    5.7275   -1.4371   -2.6767 C   0  0  0  0  0
    5.7116   -0.0352   -2.0117 C   0  0  0  0  0
    7.1575   -2.6221   -1.1087 C   0  0  0  0  0
    7.3216   -3.8108   -0.2245 C   0  0  0  0  0
    7.2814   -5.1585   -0.5162 C   0  0  0  0  0
    7.5177   -5.7583    0.6824 N   0  0  0  0  0
    7.6936   -4.8562    1.6615 N   0  0  0  0  0
    7.5717   -3.6538    1.1174 N   0  0  0  0  0
    7.6600   -7.1662    0.9595 C   0  0  0  0  0
    9.1183   -7.5953    0.9017 C   0  0  0  0  0
    9.2024   -9.0033    1.1376 O   0  0  0  0  0
   10.5548   -9.4612    1.0735 C   0  0  0  0  0
   10.6091  -10.9465    1.3800 C   0  0  0  0  0
   11.8946  -11.3770    1.2822 F   0  0  0  0  0
    7.5349    3.5552    0.5129 H   0  0  0  0  0
    7.0246    4.2327   -1.0840 H   0  0  0  0  0
    8.3337    3.0552   -0.9812 H   0  0  0  0  0
    5.3533    4.4417    0.4553 H   0  0  0  0  0
    3.0508    4.6072    1.2261 H   0  0  0  0  0
    1.4971    2.6914    0.9541 H   0  0  0  0  0
    2.2794    0.6179   -0.1066 H   0  0  0  0  0
    3.7906   -1.0520    0.6244 H   0  0  0  0  0
    5.5522   -0.9284    0.6404 H   0  0  0  0  0
    4.7678   -3.2256    0.0150 H   0  0  0  0  0
    3.7823   -2.5709   -1.2591 H   0  0  0  0  0
    6.5477   -1.4873   -3.4040 H   0  0  0  0  0
    4.8057   -1.5577   -3.2620 H   0  0  0  0  0
    6.6928    0.1325   -1.5568 H   0  0  0  0  0
    5.5556    0.7176   -2.7941 H   0  0  0  0  0
    7.3812   -1.7147   -0.5365 H   0  0  0  0  0
    7.9196   -2.6942   -1.8957 H   0  0  0  0  0
    7.1134   -5.7010   -1.4339 H   0  0  0  0  0
    7.0600   -7.7235    0.2308 H   0  0  0  0  0
    7.2286   -7.3705    1.9459 H   0  0  0  0  0
    9.7044   -7.0626    1.6597 H   0  0  0  0  0
    9.5410   -7.3684   -0.0845 H   0  0  0  0  0
   11.1730   -8.9146    1.7956 H   0  0  0  0  0
   10.9616   -9.2772    0.0720 H   0  0  0  0  0
    9.9955  -11.5189    0.6781 H   0  0  0  0  0
   10.2471  -11.1548    2.3909 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  5  6  2  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  7  8  2  0  0  0
  7 33  1  0  0  0
  8  9  1  0  0  0
  9 14  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 34  1  0  0  0
 10 35  1  0  0  0
 11 12  1  0  0  0
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 12 13  1  0  0  0
 12 15  1  0  0  0
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 13 38  1  0  0  0
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 14 40  1  0  0  0
 14 41  1  0  0  0
 15 16  1  0  0  0
 15 42  1  0  0  0
 15 43  1  0  0  0
 16 17  2  0  0  0
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 19 20  2  0  0  0
 21 22  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2443010

>  <PubChem CID>
72544789

>  <Formula>
C18H26FN5O2

>  <Molecular Weight>
363.437000

>  <IUPAC Name>
1-[[1-[2-(2-fluoroethoxy)ethyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine

>  <XlogP>
1.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
COC1=CC=CC=C1N2CCN(CC2)CC3=CN(N=N3)CCOCCF

>  <Isomeric SMILES>
COC1=CC=CC=C1N2CCN(CC2)CC3=CN(N=N3)CCOCCF

>  <InChI Std. ID>
InChI=1S/C18H26FN5O2/c1-25-18-5-3-2-4-17(18)23-9-7-22(8-10-23)14-16-15-24(21-20-16)11-13-26-12-6-19/h2-5,15H,6-14H2,1H3

>  <InChI Key>
FLNGBOIVGQBOBU-UHFFFAOYSA-N

