KEGG   COMPOUND: C15631Help
Entry
C15631                      Compound                               

Name
GW 3965
Formula
C33H31ClF3NO3
Exact mass
581.1945
Mol weight
582.0524
Structure
Mol fileKCF fileDB search
Brite
Target-based classification of compounds [BR:br08010]
 Nuclear receptors
  Thyroid hormone like receptors
   Liver X receptor like receptor
    liver X receptor alpha
     C15631  GW 3965
    liver X receptor beta
     C15631 GW 3965
BRITE hierarchy
Other DBs
CAS: 405911-09-3
PubChem: 17396621
ChEBI: 79995
ChEMBL: CHEMBL59030
PDB-CCD: 965[PDBj]
NIKKAJI: J2.039.239H
KCF data Show

ATOM        41
            1   C8x C    30.9400  -22.9600
            2   C8x C    30.9400  -21.5600
            3   C8x C    29.7500  -20.8600
            4   C8y C    28.4900  -21.5600
            5   C8y C    28.4900  -22.9600
            6   C8y C    29.7500  -23.6600
            7   C1b C    28.4900  -18.7600
            8   N1c N    27.3000  -19.4600
            9   C1b C    27.3000  -20.8600
            10  C1c C    28.4900  -17.3600
            11  C8y C    27.3000  -16.6600
            12  C8x C    26.1100  -17.3600
            13  C1b C    26.1100  -18.7600
            14  C8x C    27.3000  -15.2600
            15  C8x C    26.1100  -14.5600
            16  C8x C    24.8500  -15.2600
            17  C8x C    24.8500  -16.6600
            18  C8y C    29.7500  -16.6600
            19  C8x C    29.7500  -15.2600
            20  C8x C    30.9400  -17.3600
            21  C8x C    32.1300  -16.6600
            22  C8x C    32.1300  -15.2600
            23  C8x C    30.9400  -14.5600
            24  C1b C    23.6600  -18.7600
            25  C1b C    24.8500  -19.4600
            26  C8x C    21.2100  -17.3600
            27  C8y C    21.2100  -18.7600
            28  O2a O    22.4700  -19.4600
            29  C8x C    20.0200  -16.6600
            30  C8x C    18.8300  -17.3600
            31  C8y C    18.8300  -18.7600
            32  C8x C    20.0200  -19.4600
            33  O6a O    16.3800  -17.3600
            34  C6a C    16.3800  -18.7600
            35  C1b C    17.5700  -19.4600
            36  O6a O    15.1900  -19.4600
            37  X   Cl   27.2834  -23.6700
            38  C1d C    29.7672  -25.0599
            39  X   F    30.9751  -25.7376
            40  X   F    28.5508  -25.7824
            41  X   F    29.7672  -26.4599
BOND        44
            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     4   9 1
            10    7  10 1
            11   10  11 1
            12   11  12 1
            13    8  13 1
            14   11  14 2
            15   14  15 1
            16   15  16 2
            17   16  17 1
            18   12  17 2
            19   10  18 1
            20   18  19 1
            21   18  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  19 2
            26   24  25 1
            27   13  25 1
            28   26  27 1
            29   27  28 1
            30   24  28 1
            31   26  29 2
            32   29  30 1
            33   30  31 2
            34   31  32 1
            35   27  32 2
            36   33  34 2
            37   34  35 1
            38   31  35 1
            39   34  36 1
            40    5  37 1
            41    6  38 1
            42   38  39 1
            43   38  40 1
            44   38  41 1

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