
 CHEMBL15909

 73 78  0  0  0  0  0  0  0  0999 V2000
    4.6062   16.8189    1.2082 C   0  0  0  0  0
    5.5101   16.0041    2.0168 N   0  0  0  0  0
    4.9347   15.6680    3.3238 C   0  0  0  0  0
    3.8737   14.5626    3.2812 C   0  0  0  0  0
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    4.9384   13.7106    1.1668 C   0  0  0  0  0
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    5.4034   12.5103    3.3724 C   0  0  0  0  0
    4.6954   11.5400    4.1793 O   0  0  0  0  0
    3.5505   11.3144    3.4626 C   0  0  0  0  0
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   -6.5657    8.7992   -8.4502 C   0  0  0  0  0
   -7.3548    7.6635   -8.3453 C   0  0  0  0  0
   -7.0749    6.6591   -7.4230 C   0  0  0  0  0
   -8.4117    7.5239   -9.1575 F   0  0  0  0  0
    5.0938   17.1181    0.2736 H   0  0  0  0  0
    4.3551   17.7464    1.7349 H   0  0  0  0  0
    3.6721   16.3067    0.9573 H   0  0  0  0  0
    4.5100   16.5643    3.7935 H   0  0  0  0  0
    5.7525   15.3639    3.9881 H   0  0  0  0  0
    3.5774   14.3137    4.3087 H   0  0  0  0  0
    2.9691   14.9501    2.7936 H   0  0  0  0  0
    5.3861   12.8443    0.6631 H   0  0  0  0  0
    4.1312   14.0526    0.5067 H   0  0  0  0  0
    6.8641   14.4228    1.8301 H   0  0  0  0  0
    6.3551   15.0975    0.3055 H   0  0  0  0  0
    6.0026   13.1384    4.0381 H   0  0  0  0  0
    6.1020   11.9493    2.7366 H   0  0  0  0  0
    1.9755   12.9213    0.9283 H   0  0  0  0  0
    0.8980    9.3041    3.0613 H   0  0  0  0  0
    2.9022    9.5309    4.4664 H   0  0  0  0  0
    0.0414   11.7718    0.3659 H   0  0  0  0  0
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   -3.5608    9.6728    0.9505 H   0  0  0  0  0
   -2.6739    8.4843   -0.0011 H   0  0  0  0  0
   -4.2386   10.9076   -1.0283 H   0  0  0  0  0
   -4.7432    9.2229   -1.1845 H   0  0  0  0  0
   -4.4438   11.3066   -3.3339 H   0  0  0  0  0
   -5.0474    9.6574   -3.5102 H   0  0  0  0  0
   -4.2692   10.6037   -5.6534 H   0  0  0  0  0
   -2.6899   10.9370   -4.9778 H   0  0  0  0  0
   -2.4356    8.9233   -6.2333 H   0  0  0  0  0
   -1.7174    7.3505   -4.3717 H   0  0  0  0  0
   -1.1650    9.0079   -4.2320 H   0  0  0  0  0
   -3.4785    7.7499   -2.6702 H   0  0  0  0  0
   -1.8878    8.2216   -2.0845 H   0  0  0  0  0
   -3.8077    6.0664   -4.2824 H   0  0  0  0  0
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   -4.8405    9.8539   -7.7126 H   0  0  0  0  0
   -6.8137    9.5550   -9.1884 H   0  0  0  0  0
   -7.6982    5.7744   -7.3661 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL15909

>  <PubChem CID>
10625376

>  <Formula>
C29H36FN5O2

>  <Molecular Weight>
505.638000

>  <IUPAC Name>
1-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-3-(1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-yl)urea

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN1CCC2(CC1)COC3=C2C=C(C=C3)NC(=O)NCCN4CCC(CC4)C5=CNC6=C5C=CC(=C6)F

>  <Isomeric SMILES>
CN1CCC2(CC1)COC3=C2C=C(C=C3)NC(=O)NCCN4CCC(CC4)C5=CNC6=C5C=CC(=C6)F

>  <InChI Std. ID>
InChI=1S/C29H36FN5O2/c1-34-13-8-29(9-14-34)19-37-27-5-3-22(17-25(27)29)33-28(36)31-10-15-35-11-6-20(7-12-35)24-18-32-26-16-21(30)2-4-23(24)26/h2-5,16-18,20,32H,6-15,19H2,1H3,(H2,31,33,36)

>  <InChI Key>
HCDXKCGDMXPSKS-UHFFFAOYSA-N

