KEGG   DRUG: AmelometasoneHelp
Entry
D01156                      Drug                                   

Name
Amelometasone (JAN/INN)
Formula
C26H35FO6
Exact mass
462.2418
Mol weight
462.5509
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Efficacy
Anti-inflammatory
Other DBs
CAS: 123013-22-9
PubChem: 7848219
ChEBI: 31200
ChEMBL: CHEMBL3184507 CHEMBL3989723
LigandBox: D01156
LinkDB All DBs
KCF data Show

ATOM        33
            1   C2x C    18.9700  -26.5300
            2   C5x C    18.9700  -27.9300
            3   C2x C    20.1824  -28.6300
            4   C2y C    21.3949  -27.9300
            5   C1z C    21.3949  -26.5300
            6   C2x C    20.1824  -25.8300
            7   C1x C    22.6073  -28.6300
            8   C1x C    23.8197  -27.9300
            9   C1y C    23.8197  -26.5300
            10  C1z C    22.6073  -25.8300
            11  C1y C    25.0322  -25.8300
            12  C1z C    25.0322  -24.4300
            13  C1x C    23.8197  -23.7300
            14  C1y C    22.6073  -24.4300
            15  C1x C    27.4570  -25.8300
            16  C1y C    27.4570  -24.4300
            17  C1z C    26.2446  -23.7300
            18  O5x O    17.7576  -28.6300
            19  C1a C    21.3949  -25.1302
            20  O1a O    21.3969  -23.7312
            21  C1a C    25.0322  -23.0300
            22  C5a C    26.2446  -21.9800
            23  O7a O    28.0170  -22.6800
            24  C7a C    29.4170  -22.6800
            25  O6a O    30.1127  -23.8850
            26  C1b C    30.1127  -21.4750
            27  C1a C    31.4999  -21.4751
            28  O5a O    27.4611  -21.2777
            29  C1b C    25.0362  -21.2823
            30  O2a O    23.8427  -21.9716
            31  C1a C    22.6544  -21.2855
            32  X   F    22.6073  -27.2300
            33  C1a C    28.6566  -23.7373
BOND        36
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21    2  18 2
            22    5  19 1 #Up
            23   14  20 1 #Up
            24   12  21 1 #Up
            25   17  22 1 #Up
            26   17  23 1 #Down
            27   23  24 1
            28   24  25 2
            29   24  26 1
            30   26  27 1
            31   22  28 2
            32   22  29 1
            33   29  30 1
            34   30  31 1
            35   10  32 1 #Down
            36   16  33 1 #Up

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