
 CHEMBL3600817

 70 73  0  0  0  0  0  0  0  0999 V2000
   -0.2770    3.4250   -0.8478 C   0  0  0  0  0
    0.4474    2.6183   -1.8929 C   0  0  0  0  0
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    6.1169    4.0526   -1.0653 N   0  0  0  0  0
    5.8948    2.6515   -1.4667 C   0  0  0  0  0
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    8.2330    8.6693   -0.4282 C   0  0  0  0  0
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    8.2341   10.3275    1.4958 C   0  0  0  0  0
    8.5635   11.6808    1.9091 N   0  0  0  0  0
    9.8319   12.0185    2.3381 C   0  0  0  0  0
   10.7654   11.2244    2.3622 O   0  0  0  0  0
   10.0369   13.4337    2.7636 C   0  0  0  0  0
    8.9832   14.2412    3.1995 C   0  0  0  0  0
    9.2236   15.5655    3.5884 C   0  0  0  0  0
   10.5184   16.1164    3.5800 C   0  0  0  0  0
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   11.3333   13.9556    2.7599 C   0  0  0  0  0
   10.7598   17.5198    3.9938 C   0  0  0  0  0
   10.0198   18.1148    5.0363 C   0  0  0  0  0
   10.2275   19.4460    5.4119 C   0  0  0  0  0
   11.1908   20.1987    4.7578 C   0  0  0  0  0
   11.9476   19.6461    3.7354 C   0  0  0  0  0
   11.7293   18.3178    3.3539 C   0  0  0  0  0
   11.3915   21.4731    5.1167 F   0  0  0  0  0
   -0.7148    4.3130   -1.3112 H   0  0  0  0  0
    0.4235    3.7179   -0.0619 H   0  0  0  0  0
   -1.0799    2.8278   -0.4076 H   0  0  0  0  0
    1.5219    4.3859   -2.3895 H   0  0  0  0  0
    1.3435    3.2327   -3.7258 H   0  0  0  0  0
    2.7857    1.7190   -2.5172 H   0  0  0  0  0
    3.7297    3.3147   -4.1092 H   0  0  0  0  0
    3.3597    5.3820   -2.6191 H   0  0  0  0  0
    4.9458    5.2219   -3.3044 H   0  0  0  0  0
    4.9708    5.8313   -0.8472 H   0  0  0  0  0
    4.1340    4.3674   -0.4653 H   0  0  0  0  0
    6.8405    2.0957   -1.4312 H   0  0  0  0  0
    5.2541    2.1732   -0.7144 H   0  0  0  0  0
    5.9787    2.7691   -3.6227 H   0  0  0  0  0
    5.0431    1.4167   -3.0267 H   0  0  0  0  0
    7.0749    4.6841   -2.8777 H   0  0  0  0  0
    8.1363    4.0425   -1.6537 H   0  0  0  0  0
    6.4306    7.0777   -2.8381 H   0  0  0  0  0
    6.9689    9.3347   -2.0560 H   0  0  0  0  0
    9.4393    7.6531    1.0574 H   0  0  0  0  0
    8.8388    5.3926    0.3119 H   0  0  0  0  0
    8.0828   10.8050   -0.5950 H   0  0  0  0  0
    9.6679   10.2180   -0.1372 H   0  0  0  0  0
    8.7533    9.6302    2.1623 H   0  0  0  0  0
    7.1573   10.1987    1.6547 H   0  0  0  0  0
    7.8857   12.4057    1.7232 H   0  0  0  0  0
    7.9694   13.8595    3.2708 H   0  0  0  0  0
    8.3719   16.1679    3.8992 H   0  0  0  0  0
   12.5957   15.6356    3.1633 H   0  0  0  0  0
   12.1707   13.3344    2.4465 H   0  0  0  0  0
    9.2721   17.5415    5.5806 H   0  0  0  0  0
    9.6453   19.8939    6.2107 H   0  0  0  0  0
   12.6982   20.2500    3.2357 H   0  0  0  0  0
   12.3216   17.9168    2.5339 H   0  0  0  0  0
  1  2  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3600817

>  <PubChem CID>
122184563

>  <Formula>
C30H34FN3O2

>  <Molecular Weight>
487.619000

>  <IUPAC Name>
4-(4-fluorophenyl)-N-[2-[4-[[4-(2-oxopropylamino)piperidin-1-yl]methyl]phenyl]ethyl]benzamide

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(=O)CNC1CCN(CC1)CC2=CC=C(C=C2)CCNC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)F

>  <Isomeric SMILES>
CC(=O)CNC1CCN(CC1)CC2=CC=C(C=C2)CCNC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C30H34FN3O2/c1-22(35)20-33-29-15-18-34(19-16-29)21-24-4-2-23(3-5-24)14-17-32-30(36)27-8-6-25(7-9-27)26-10-12-28(31)13-11-26/h2-13,29,33H,14-21H2,1H3,(H,32,36)

>  <InChI Key>
ARFXECJNWZZFLK-UHFFFAOYSA-N

