KEGG   DRUG: AmcinafideHelp
Entry
D02887                      Drug                                   

Name
Amcinafide (USAN/INN)
Formula
C29H33FO6
Exact mass
496.2261
Mol weight
496.5671
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Efficacy
Anti-inflammatory
Other DBs
CAS: 7332-27-6
PubChem: 17397044
ChEMBL: CHEMBL1610591 CHEMBL3989526
LigandBox: D02887
NIKKAJI: J8.924I
LinkDB All DBs
KCF data Show

ATOM        36
            1   C2x C    19.7400  -17.8500
            2   C5x C    19.7400  -19.2500
            3   C2x C    20.9524  -19.9500
            4   C2y C    22.1649  -19.2500
            5   C1z C    22.1649  -17.8500
            6   C2x C    20.9524  -17.1500
            7   C1x C    23.3773  -19.9500
            8   C1x C    24.5897  -19.2500
            9   C1y C    24.5897  -17.8500
            10  C1z C    23.3773  -17.1500
            11  C1y C    25.8022  -17.1500
            12  C1z C    25.8022  -15.7500
            13  C1x C    24.5897  -15.0500
            14  C1y C    23.3773  -15.7500
            15  C1x C    28.2270  -17.1500
            16  C1y C    28.2270  -15.7500
            17  C1z C    27.0146  -15.0500
            18  C5a C    27.0146  -13.6500
            19  O5a O    28.2311  -12.9477
            20  C1b C    25.8062  -12.9523
            21  O1a O    25.8062  -11.5523
            22  O2x O    29.6270  -15.7500
            23  C1z C    29.6270  -14.3500
            24  O2x O    28.2270  -14.3500
            25  C8y C    31.0270  -14.3500
            26  C1a C    29.6270  -12.9500
            27  C8x C    31.7227  -15.5550
            28  C8x C    33.1227  -15.5551
            29  C8x C    33.8227  -14.3427
            30  C8x C    33.1271  -13.1377
            31  C8x C    31.7271  -13.1376
            32  C1a C    25.8022  -14.3500
            33  O1a O    22.1669  -15.0512
            34  C1a C    22.1649  -16.4500
            35  X   F    23.3773  -18.5500
            36  O5x O    18.5276  -19.9500
BOND        41
            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   17  18 1 #Up
            22   18  19 2
            23   18  20 1
            24   20  21 1
            25   16  22 1 #Down
            26   22  23 1
            27   23  24 1
            28   17  24 1 #Down
            29   23  25 1 #Down
            30   23  26 1 #Up
            31   25  27 2
            32   27  28 1
            33   28  29 2
            34   29  30 1
            35   30  31 2
            36   25  31 1
            37   12  32 1 #Up
            38   14  33 1 #Up
            39    5  34 1 #Up
            40   10  35 1 #Down
            41    2  36 2

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