KEGG   DRUG: ProcinonideHelp
Entry
D05616                      Drug                                   

Name
Procinonide (USAN/INN)
Formula
C27H34F2O7
Exact mass
508.2273
Mol weight
508.5515
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Efficacy
Anti-inflammatory
Comment
Adrenocortical steroid
Other DBs
CAS: 58497-00-0
PubChem: 47207279
ChEMBL: CHEMBL2106554
LigandBox: D05616
NIKKAJI: J10.295D
LinkDB All DBs
KCF data Show

ATOM        36
            1   C2x C    18.0349  -19.9329
            2   C5x C    18.0349  -21.3064
            3   C2x C    19.2245  -21.9932
            4   C2y C    20.4141  -21.3064
            5   C1z C    20.4141  -19.9329
            6   C2x C    19.2245  -19.2461
            7   C1y C    21.6036  -21.9932
            8   C1x C    22.7931  -21.3064
            9   C1y C    22.7931  -19.9329
            10  C1z C    21.6036  -19.2461
            11  C1y C    23.9828  -19.2461
            12  C1z C    23.9828  -17.8725
            13  C1x C    22.7931  -17.1857
            14  C1y C    21.6036  -17.8725
            15  C1x C    26.3618  -19.2461
            16  C1y C    26.3618  -17.8725
            17  C1z C    25.1723  -17.1857
            18  O2x O    27.7354  -17.8725
            19  O2x O    26.4991  -16.8302
            20  C1z C    27.8727  -16.8302
            21  C1a C    29.2463  -16.8302
            22  C1a C    28.2282  -15.5034
            23  C5a C    25.1723  -15.2627
            24  O5a O    26.3658  -14.5736
            25  C1b C    23.9867  -14.5781
            26  O7a O    22.8157  -15.2544
            27  C7a C    21.6498  -14.5813
            28  C1b C    20.4816  -15.2560
            29  O6a O    21.6496  -13.2025
            30  C1a C    23.9828  -16.4989
            31  O1a O    20.4161  -17.1869
            32  C1a C    20.4141  -18.5593
            33  X   F    21.6036  -20.6197
            34  X   F    21.6036  -23.3668
            35  O5x O    16.8454  -21.9932
            36  C1a C    19.2922  -14.5693
BOND        40
            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   16  18 1 #Down
            22   17  19 1 #Down
            23   19  20 1
            24   20  18 1
            25   20  21 1
            26   20  22 1
            27   17  23 1 #Up
            28   23  24 2
            29   23  25 1
            30   25  26 1
            31   26  27 1
            32   27  28 1
            33   27  29 2
            34   12  30 1 #Up
            35   14  31 1 #Up
            36    5  32 1 #Up
            37   10  33 1 #Down
            38    7  34 1 #Down
            39    2  35 2
            40   28  36 1

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