KEGG   COMPOUND: C15630Help
Entry
C15630                      Compound                               

Name
T 0901317;
T0901317
Formula
C17H12F9NO3S
Exact mass
481.0394
Mol weight
481.3327
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Target-based classification of compounds [BR:br08010]
 Nuclear receptors
  Thyroid hormone like receptors
   Liver X receptor like receptor
    liver X receptor alpha
     C15630  T 0901317
    liver X receptor beta
     C15630 T 0901317
BRITE hierarchy
Other DBs
CAS: 
293754-55-9
PubChem: 
ChEBI: 
ChEMBL: 
PDB-CCD: 
NIKKAJI: 
KCF data Show

ATOM        31
            1   C8x C    18.3971  -20.3849
            2   C8x C    18.3971  -21.7658
            3   C8x C    19.5930  -22.4563
            4   C8x C    20.7890  -21.7658
            5   C8y C    20.7890  -20.3849
            6   C8x C    19.5930  -19.6945
            7   C1b C    23.1807  -21.7658
            8   N1c N    23.1807  -20.3849
            9   S4a S    21.9849  -19.6945
            10  C8x C    25.5726  -20.3849
            11  C8y C    24.3766  -19.6945
            12  C8x C    26.7684  -19.6945
            13  C8y C    26.7684  -18.3134
            14  C8x C    25.5726  -17.6230
            15  C8x C    24.3766  -18.3134
            16  O3c O    21.2849  -18.4820
            17  O3c O    22.9748  -18.7045
            18  C1d C    24.3869  -22.4622
            19  X   F    25.5757  -21.7758
            20  X   F    24.3871  -23.8697
            21  X   F    25.5993  -23.1622
            22  C1d C    27.9481  -17.6326
            23  C1d C    29.1499  -18.3269
            24  C1d C    27.9483  -16.2401
            25  O1a O    29.1605  -16.9326
            26  X   F    29.1471  -15.5481
            27  X   F    26.7223  -15.5319
            28  X   F    27.9483  -14.8401
            29  X   F    30.4044  -17.8534
            30  X   F    29.1498  -19.7397
            31  X   F    30.3623  -19.0269
BOND        32
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     7   8 1
            8     8   9 1
            9     5   9 1
            10   10  11 2
            11    8  11 1
            12   10  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16   11  15 1
            17    9  16 2
            18    9  17 2
            19    7  18 1
            20   18  19 1
            21   18  20 1
            22   18  21 1
            23   13  22 1
            24   22  23 1
            25   22  24 1
            26   22  25 1
            27   24  26 1
            28   24  27 1
            29   24  28 1
            30   23  29 1
            31   23  30 1
            32   23  31 1

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