
 CHEMBL1171877

 79 82  0  0  0  0  0  0  0  0999 V2000
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    5.3360    1.1897    0.9325 H   0  0  0  0  0
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    7.4990    2.5209   -4.1439 H   0  0  0  0  0
    8.9507    3.1611   -5.7858 H   0  0  0  0  0
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    9.6264    4.2422   -7.7428 H   0  0  0  0  0
    8.2225    5.4590   -9.2910 H   0  0  0  0  0
    6.7677    5.1032   -8.3728 H   0  0  0  0  0
    9.1159    6.8336   -7.4633 H   0  0  0  0  0
    7.5004    7.3908   -7.8915 H   0  0  0  0  0
    7.8088    7.2558   -5.4255 H   0  0  0  0  0
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    9.3653    5.4090   -5.2314 H   0  0  0  0  0
    7.9002    5.0137   -4.3442 H   0  0  0  0  0
    1.8359   -3.8444   -7.6466 H   0  0  0  0  0
    2.6352   -4.8298   -9.4079 H   0  0  0  0  0
    0.0535   -5.0188   -9.3364 H   0  0  0  0  0
    0.9663   -6.2092  -10.2538 H   0  0  0  0  0
   -0.9634   -5.5669  -11.5507 H   0  0  0  0  0
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  4  5  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1171877

>  <PubChem CID>
46837697

>  <Formula>
C29H44FN3O2

>  <Molecular Weight>
485.688000

>  <IUPAC Name>
N-[(1S)-3-[4-(cyclohexanecarbonylamino)-4-methylpiperidin-1-yl]-1-(3-fluorophenyl)propyl]cyclohexanecarboxamide

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1(CCN(CC1)CCC(C2=CC(=CC=C2)F)NC(=O)C3CCCCC3)NC(=O)C4CCCCC4

>  <Isomeric SMILES>
CC1(CCN(CC1)CC[C@@H](C2=CC(=CC=C2)F)NC(=O)C3CCCCC3)NC(=O)C4CCCCC4

>  <InChI Std. ID>
InChI=1S/C29H44FN3O2/c1-29(32-28(35)23-11-6-3-7-12-23)16-19-33(20-17-29)18-15-26(24-13-8-14-25(30)21-24)31-27(34)22-9-4-2-5-10-22/h8,13-14,21-23,26H,2-7,9-12,15-20H2,1H3,(H,31,34)(H,32,35)/t26-/m0/s1

>  <InChI Key>
ATGWGVUKDPJYPX-SANMLTNESA-N

