KEGG   DRUG: Rezatapopt
Entry
D12982                      Drug                                   
Name
Rezatapopt (USAN/INN)
Formula
C28H31F4N5O2
Exact mass
545.2414
Mol weight
545.57
Structure
Efficacy
Antineoplastic
Target
TP53* (p53) [HSA_VAR:7157v1] [HSA:7157] [KO:K04451]
  Pathway
hsa05200  Pathways in cancer
Brite
Target-based classification of drugs [BR:br08310]
 Not elsewhere classified
  Genetic information processing
   Transcription factor
    TP53* (p53) [HSA_VAR:7157v1]
     D12982  Rezatapopt (USAN/INN)
Other DBs
CAS: 2636846-41-6
PubChem: 504099498
LinkDB
KCF data

ATOM        39
            1   C8x C    11.4800  -22.1900
            2   C8x C    11.4800  -20.7900
            3   C8y C    12.6700  -20.0900
            4   C8y C    13.9300  -20.7900
            5   C8y C    13.9300  -22.1900
            6   C8x C    12.6700  -22.8900
            7   C8x C    15.2600  -20.3700
            8   C8y C    16.0300  -21.4900
            9   N4y N    15.2600  -22.6100
            10  C1b C    15.6800  -23.9400
            11  C1d C    17.0800  -24.2200
            12  X   F    18.4100  -24.5700
            13  X   F    16.6600  -25.6200
            14  X   F    17.4300  -22.8900
            15  C3b C    17.4300  -21.4900
            16  C3b C    18.8300  -21.4900
            17  C1b C    20.2300  -21.4900
            18  N1b N    20.9300  -20.3000
            19  C8y C    22.3300  -20.3000
            20  C8y C    23.0300  -19.1100
            21  C8x C    24.4300  -19.1100
            22  C8y C    25.1300  -20.3000
            23  C8x C    24.4300  -21.4900
            24  C8x C    23.0300  -21.4900
            25  C5a C    26.5300  -20.3000
            26  N1b N    27.2300  -19.1100
            27  O5a O    27.2300  -21.4900
            28  C1a C    28.6300  -19.1100
            29  O2a O    22.3300  -17.9200
            30  C1a C    20.9300  -17.9200
            31  N1b N    12.6700  -18.6900
            32  C1y C    11.4800  -17.9900
            33  C1y C    10.2900  -18.6900
            34  C1x C     9.0300  -17.9900
            35  N1y N     9.0300  -16.5900
            36  C1x C    10.2200  -15.8900
            37  C1x C    11.4800  -16.5900
            38  X   F    10.2900  -20.0900
            39  C1a C     7.8400  -15.8900
BOND        42
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    5   9 1
            11    9  10 1
            12   10  11 1
            13   11  12 1
            14   11  13 1
            15   11  14 1
            16    8  15 1
            17   15  16 3
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   19  24 1
            27   22  25 1
            28   25  26 1
            29   25  27 2
            30   26  28 1
            31   20  29 1
            32   29  30 1
            33    3  31 1
            34   32  31 1 #Up
            35   32  33 1
            36   33  34 1
            37   34  35 1
            38   35  36 1
            39   36  37 1
            40   32  37 1
            41   33  38 1 #Up
            42   35  39 1

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