
 CHEMBL3966602

 76 79  0  0  0  0  0  0  0  0999 V2000
   10.4871    3.7002    4.8695 C   0  0  0  0  0
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   10.2922    7.7916  -11.7238 C   0  0  0  0  0
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    9.6875    3.0371    4.5194 H   0  0  0  0  0
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   12.9169    4.8196    4.7736 H   0  0  0  0  0
   10.7279    3.1325    2.1617 H   0  0  0  0  0
   12.2901    3.0311    2.9893 H   0  0  0  0  0
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   11.2633    6.5685    1.8077 H   0  0  0  0  0
    9.6109    8.0798    0.8863 H   0  0  0  0  0
    6.5790    6.3419    3.4156 H   0  0  0  0  0
    8.2426    4.8555    4.3925 H   0  0  0  0  0
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    4.6898    9.7238    0.6029 H   0  0  0  0  0
    3.4071   10.9665   -1.0785 H   0  0  0  0  0
    4.2365   11.1869   -3.4012 H   0  0  0  0  0
    7.7335    8.9313   -2.3456 H   0  0  0  0  0
    7.7059   10.2180   -4.3865 H   0  0  0  0  0
    6.3202   11.2011   -4.8077 H   0  0  0  0  0
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    6.3091    5.7649   -5.5783 H   0  0  0  0  0
    4.8921    6.7511   -5.9116 H   0  0  0  0  0
    5.8822    6.3485   -8.0171 H   0  0  0  0  0
    6.6651    8.6971   -8.7203 H   0  0  0  0  0
    5.1235    8.6059   -7.8814 H   0  0  0  0  0
    7.8141    9.4089   -6.6650 H   0  0  0  0  0
    6.4409   10.4556   -7.0316 H   0  0  0  0  0
    7.6342    6.8445   -9.5840 H   0  0  0  0  0
   10.0137    5.4286   -8.6034 H   0  0  0  0  0
    8.8747    4.7734  -10.7650 H   0  0  0  0  0
   10.5974    5.1104  -10.9134 H   0  0  0  0  0
    9.4259    6.1293  -12.7882 H   0  0  0  0  0
    8.3043    6.9615  -11.7215 H   0  0  0  0  0
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   10.0107    8.5423  -12.4709 H   0  0  0  0  0
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    9.3218    8.8959  -10.1456 H   0  0  0  0  0
   11.6223    7.0439   -9.3660 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3966602

>  <PubChem CID>
129625958

>  <Formula>
C30H41N3O2

>  <Molecular Weight>
475.677000

>  <IUPAC Name>
1-[[3-[(4-tert-butylbenzoyl)amino]phenyl]methyl]-N-cyclohexylpiperidine-4-carboxamide

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)CN3CCC(CC3)C(=O)NC4CCCCC4

>  <Isomeric SMILES>
CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)CN3CCC(CC3)C(=O)NC4CCCCC4

>  <InChI Std. ID>
InChI=1S/C30H41N3O2/c1-30(2,3)25-14-12-23(13-15-25)28(34)32-27-11-7-8-22(20-27)21-33-18-16-24(17-19-33)29(35)31-26-9-5-4-6-10-26/h7-8,11-15,20,24,26H,4-6,9-10,16-19,21H2,1-3H3,(H,31,35)(H,32,34)

>  <InChI Key>
BQDTVUPBSBGUGJ-UHFFFAOYSA-N

