KEGG   DRUG: DrocinonideHelp
Entry
D03910                      Drug                                   

Name
Drocinonide (USAN/INN)
Formula
C24H35FO6
Exact mass
438.2418
Mol weight
438.5295
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Efficacy
Anti-inflammatory
Other DBs
CAS: 2355-59-1
PubChem: 47205901
ChEMBL: CHEMBL2104454
LigandBox: D03910
NIKKAJI: J17.486F
LinkDB All DBs
KCF data Show

ATOM        31
            1   C1x C     7.0000  -22.4700
            2   C5x C     7.0000  -23.8700
            3   C1x C     8.2124  -24.5700
            4   C1y C     9.4249  -23.8700
            5   C1z C     9.4249  -22.4700
            6   C1x C     8.2124  -21.7700
            7   C1x C    10.6373  -24.5700
            8   C1x C    11.8497  -23.8700
            9   C1y C    11.8497  -22.4700
            10  C1z C    10.6373  -21.7700
            11  C1y C    13.0622  -21.7700
            12  C1z C    13.0622  -20.3700
            13  C1x C    11.8497  -19.6700
            14  C1y C    10.6373  -20.3700
            15  C1x C    15.4870  -21.7700
            16  C1y C    15.4870  -20.3700
            17  C1z C    14.2746  -19.6700
            18  O5x O     5.7876  -24.5700
            19  X   F    10.6373  -23.1700
            20  O1a O     9.4269  -19.6712
            21  C1a C     9.4249  -21.0700
            22  C5a C    14.2746  -17.9900
            23  O5a O    15.4911  -17.2877
            24  C1a C    13.0622  -18.9700
            25  C1b C    13.0662  -17.2923
            26  O1a O    11.8727  -17.9816
            27  O2x O    15.4870  -18.9700
            28  O2x O    16.8870  -20.3700
            29  C1z C    16.8870  -18.9700
            30  C1a C    16.8870  -17.5700
            31  C1a C    18.2870  -18.9700
BOND        35
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            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   10  19 1 #Down
            23   14  20 1 #Up
            24    5  21 1 #Up
            25   17  22 1 #Up
            26   22  23 2
            27   12  24 1 #Up
            28   22  25 1
            29   25  26 1
            30   17  27 1 #Down
            31   16  28 1 #Down
            32   28  29 1
            33   27  29 1
            34   29  30 1
            35   29  31 1

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