
 CHEMBL291518

 64 67  0  0  0  0  0  0  0  0999 V2000
    1.0449    2.8039   -4.2374 C   0  0  0  0  0
    1.7293    4.1696   -4.1787 C   0  0  0  0  0
    0.9483    5.2407   -4.9382 C   0  0  0  0  0
    2.0638    4.5765   -2.8248 N   0  0  0  0  0
    1.1889    4.8277   -1.7566 C   0  0  0  0  0
   -0.1904    4.7701   -1.6952 C   0  0  0  0  0
   -0.8053    5.0924   -0.4816 C   0  0  0  0  0
   -0.0402    5.4581    0.6378 C   0  0  0  0  0
    1.3544    5.5102    0.5640 C   0  0  0  0  0
    1.9532    5.1944   -0.6432 C   0  0  0  0  0
    3.3168    5.1900   -1.0096 N   0  0  0  0  0
    3.3864    4.8117   -2.3857 C   0  0  0  0  0
    4.4029    4.7258   -3.0655 O   0  0  0  0  0
    4.3774    5.4676   -0.1513 C   0  0  0  0  0
    4.2699    5.6751    1.0577 O   0  0  0  0  0
    5.6103    5.4771   -0.7637 N   0  0  0  0  0
    6.8639    5.7586   -0.0745 C   0  0  0  0  0
    8.0476    5.2374   -0.8927 C   0  0  0  0  0
    8.3152    6.1176   -2.1151 C   0  0  0  0  0
    8.5264    7.5357   -1.7927 N   0  0  0  0  0
    7.3851    8.0610   -1.0233 C   0  0  0  0  0
    7.0392    7.2510    0.2293 C   0  0  0  0  0
    9.8143    7.8269   -1.1440 C   0  0  0  0  0
   11.0431    7.4443   -1.9783 C   0  0  0  0  0
   11.0732    8.1221   -3.3473 C   0  0  0  0  0
   12.2000    7.6528   -4.0973 O   0  0  0  0  0
   12.0329    6.5256   -4.8540 C   0  0  0  0  0
   13.1777    5.7330   -4.9957 C   0  0  0  0  0
   13.1474    4.5750   -5.7751 C   0  0  0  0  0
   11.9718    4.2219   -6.4237 C   0  0  0  0  0
   10.8312    5.0071   -6.3082 C   0  0  0  0  0
   10.8620    6.1657   -5.5253 C   0  0  0  0  0
   11.9397    3.1172   -7.1805 F   0  0  0  0  0
    1.6306    2.0530   -3.6960 H   0  0  0  0  0
    0.9462    2.4690   -5.2757 H   0  0  0  0  0
    0.0424    2.8197   -3.8024 H   0  0  0  0  0
    2.6806    4.0518   -4.7139 H   0  0  0  0  0
   -0.0467    5.4067   -4.5169 H   0  0  0  0  0
    0.8194    4.9521   -5.9869 H   0  0  0  0  0
    1.4821    6.1971   -4.9150 H   0  0  0  0  0
   -0.8003    4.4952   -2.5458 H   0  0  0  0  0
   -1.8902    5.0631   -0.4018 H   0  0  0  0  0
   -0.5380    5.7078    1.5727 H   0  0  0  0  0
    1.9307    5.8000    1.4361 H   0  0  0  0  0
    5.6156    5.3725   -1.7763 H   0  0  0  0  0
    6.8234    5.2140    0.8770 H   0  0  0  0  0
    7.8574    4.2087   -1.2223 H   0  0  0  0  0
    8.9423    5.2031   -0.2593 H   0  0  0  0  0
    9.1536    5.7085   -2.6870 H   0  0  0  0  0
    7.4641    6.0520   -2.8052 H   0  0  0  0  0
    7.5655    9.1069   -0.7446 H   0  0  0  0  0
    6.5085    8.0878   -1.6837 H   0  0  0  0  0
    7.8398    7.3710    0.9700 H   0  0  0  0  0
    6.1324    7.6642    0.6864 H   0  0  0  0  0
    9.8905    7.3362   -0.1669 H   0  0  0  0  0
    9.8750    8.9065   -0.9531 H   0  0  0  0  0
   11.1182    6.3564   -2.0856 H   0  0  0  0  0
   11.9486    7.7312   -1.4276 H   0  0  0  0  0
   11.2229    9.1988   -3.2053 H   0  0  0  0  0
   10.1302    8.0236   -3.8888 H   0  0  0  0  0
   14.0976    6.0205   -4.4927 H   0  0  0  0  0
   14.0312    3.9554   -5.8842 H   0  0  0  0  0
    9.9282    4.7222   -6.8388 H   0  0  0  0  0
    9.9669    6.7768   -5.4880 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 37  1  0  0  0
  3 38  1  0  0  0
  3 39  1  0  0  0
  3 40  1  0  0  0
  4 12  1  0  0  0
  4  5  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 41  1  0  0  0
  7  8  2  0  0  0
  7 42  1  0  0  0
  8  9  1  0  0  0
  8 43  1  0  0  0
  9 10  2  0  0  0
  9 44  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  2  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  1  0  0  0
 16 45  1  0  0  0
 17 22  1  0  0  0
 17 18  1  0  0  0
 17 46  1  0  0  0
 18 19  1  0  0  0
 18 47  1  0  0  0
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 19 20  1  0  0  0
 19 49  1  0  0  0
 19 50  1  0  0  0
 20 21  1  0  0  0
 20 23  1  0  0  0
 21 22  1  0  0  0
 21 51  1  0  0  0
 21 52  1  0  0  0
 22 53  1  0  0  0
 22 54  1  0  0  0
 23 24  1  0  0  0
 23 55  1  0  0  0
 23 56  1  0  0  0
 24 25  1  0  0  0
 24 57  1  0  0  0
 24 58  1  0  0  0
 25 26  1  0  0  0
 25 59  1  0  0  0
 25 60  1  0  0  0
 26 27  1  0  0  0
 27 28  2  0  0  0
 27 32  1  0  0  0
 28 29  1  0  0  0
 28 61  1  0  0  0
 29 30  2  0  0  0
 29 62  1  0  0  0
 30 31  1  0  0  0
 30 33  1  0  0  0
 31 32  2  0  0  0
 31 63  1  0  0  0
 32 64  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL291518

>  <PubChem CID>
9846770

>  <Formula>
C25H31FN4O3

>  <Molecular Weight>
454.546000

>  <IUPAC Name>
N-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)N1C2=CC=CC=C2N(C1=O)C(=O)NC3CCN(CC3)CCCOC4=CC=C(C=C4)F

>  <Isomeric SMILES>
CC(C)N1C2=CC=CC=C2N(C1=O)C(=O)NC3CCN(CC3)CCCOC4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C25H31FN4O3/c1-18(2)29-22-6-3-4-7-23(22)30(25(29)32)24(31)27-20-12-15-28(16-13-20)14-5-17-33-21-10-8-19(26)9-11-21/h3-4,6-11,18,20H,5,12-17H2,1-2H3,(H,27,31)

>  <InChI Key>
CAVOGSPUIYUFAC-UHFFFAOYSA-N

