KEGG   DRUG: TriclonideHelp
Entry
D06225                      Drug                                   

Name
Triclonide (USAN/INN)
Formula
C24H28Cl3FO4
Exact mass
504.1037
Mol weight
505.8341
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Efficacy
Anti-inflammatory
Other DBs
CAS: 26849-57-0
PubChem: 47207883
ChEMBL: CHEMBL2107225
LigandBox: D06225
NIKKAJI: J10.428K
LinkDB All DBs
KCF data Show

ATOM        32
            1   C2x C     8.6800  -22.4000
            2   C5x C     8.6800  -23.8000
            3   C2x C     9.8924  -24.5000
            4   C2y C    11.1049  -23.8000
            5   C1z C    11.1049  -22.4000
            6   C2x C     9.8924  -21.7000
            7   C1y C    12.3173  -24.5000
            8   C1x C    13.5297  -23.8000
            9   C1y C    13.5297  -22.4000
            10  C1z C    12.3173  -21.7000
            11  C1y C    14.7422  -21.7000
            12  C1z C    14.7422  -20.3000
            13  C1x C    13.5297  -19.6000
            14  C1y C    12.3173  -20.3000
            15  C1x C    17.1670  -21.7000
            16  C1y C    17.1670  -20.3000
            17  C1z C    15.9546  -19.6000
            18  O5x O     7.4676  -24.5000
            19  C1a C    11.1049  -21.0000
            20  X   Cl   11.1069  -19.6012
            21  C1a C    14.7422  -18.9000
            22  X   F    12.3173  -25.9000
            23  X   Cl   12.3173  -23.1000
            24  C5a C    15.9546  -17.9900
            25  O5a O    17.1711  -17.2877
            26  C1b C    14.7462  -17.2923
            27  X   Cl   13.5527  -17.9816
            28  O2x O    17.1670  -18.9000
            29  O2x O    18.5670  -20.3000
            30  C1z C    18.5670  -18.9000
            31  C1a C    18.5670  -17.5000
            32  C1a C    19.9670  -18.9000
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    7  22 1 #Down
            26   10  23 1 #Down
            27   17  24 1 #Up
            28   24  25 2
            29   24  26 1
            30   26  27 1
            31   17  28 1 #Down
            32   16  29 1 #Down
            33   29  30 1
            34   28  30 1
            35   30  31 1
            36   30  32 1

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