KEGG   DRUG: NaflocortHelp
Entry
D05104                      Drug                                   

Name
Naflocort (USAN);
Naflocort monohydrate
Formula
C29H33FO4. H2O
Exact mass
482.2469
Mol weight
482.5836
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Efficacy
Anti-inflammatory (topical)
Comment
Adrenocortical steroid
Other DBs
CAS: 80738-47-2
PubChem: 47206829
ChEMBL: CHEMBL3989811
LigandBox: D05104
LinkDB All DBs
KCF data Show

ATOM        35
            1   O0  O    20.5361  -26.8918
            2   C2x C     9.4500  -24.6400
            3   C5x C     9.4500  -26.0400
            4   C2x C    10.6400  -26.7400
            5   C2y C    11.9000  -26.0400
            6   C1z C    11.9000  -24.6400
            7   C2x C    10.6400  -23.9400
            8   C1x C    13.0900  -26.7400
            9   C1x C    14.2800  -26.0400
            10  C1y C    14.2800  -24.6400
            11  C1z C    13.0900  -23.9400
            12  C1y C    15.5400  -23.9400
            13  C1z C    15.5400  -22.5400
            14  C1x C    14.2800  -21.8400
            15  C1y C    13.0900  -22.5400
            16  C1x C    17.9200  -23.9400
            17  C1y C    17.9200  -22.5400
            18  C1z C    16.7300  -21.8400
            19  O5x O     8.2600  -26.7400
            20  C1a C    15.5400  -21.1400
            21  O1a O    11.9000  -21.8400
            22  C1a C    11.9000  -23.2400
            23  X   F    13.0900  -25.3400
            24  C1x C    17.3987  -20.6322
            25  C8y C    18.7793  -20.6298
            26  C1x C    19.3200  -22.5400
            27  C8y C    19.9599  -21.4101
            28  C8x C    21.2824  -20.7845
            29  C8x C    21.2969  -19.3871
            30  C8x C    20.1163  -18.6068
            31  C8x C    18.7938  -19.2323
            32  C5a C    16.7300  -20.0900
            33  O5a O    17.9424  -19.3900
            34  C1b C    15.5176  -19.3900
            35  O1a O    14.3221  -20.0804
BOND        39
            1     2   3 1
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   7 1
            6     2   7 2
            7     5   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11    6  11 1
            12   10  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   11  15 1
            17   12  16 1
            18   16  17 1
            19   13  18 1
            20    3  19 2
            21   13  20 1 #Up
            22   15  21 1 #Up
            23    6  22 1 #Up
            24   11  23 1 #Down
            25   17  18 1
            26   24  25 1
            27   24  18 1
            28   17  26 1
            29   26  27 1
            30   27  25 1
            31   27  28 2
            32   28  29 1
            33   29  30 2
            34   30  31 1
            35   25  31 2
            36   18  32 1 #Up
            37   32  33 2
            38   32  34 1
            39   34  35 1

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