Entry |
|
Name |
Rezatapopt (USAN/INN) |
Formula |
C28H31F4N5O2
|
Exact mass |
545.2414
|
Mol weight |
545.57
|
Structure |

|
Efficacy |
Antineoplastic |
Target |
|
Pathway |
|
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 |
|
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
|