Entry |
|
Name |
Sonrotoclax (USAN/INN) |
Formula |
C49H59N7O7S
|
Exact mass |
889.4197
|
Mol weight |
890.1005
|
Structure |
|
Efficacy |
Antineoplastic, Bcl-2 inhibitor |
Target |
|
Pathway |
|
Brite |
Target-based classification of drugs [BR:br08310]
Not elsewhere classified
Cellular process
Apoptosis
BCL2
D12883 Sonrotoclax (USAN/INN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 64
1 C8x C 14.4200 -12.0400
2 C8y C 14.4200 -13.4400
3 C8x C 15.6100 -14.1400
4 C8x C 16.8700 -13.4400
5 C8y C 16.8700 -12.0400
6 C8y C 15.6100 -11.3400
7 C5a C 18.0600 -11.3400
8 N1b N 19.2500 -12.0400
9 O5a O 18.0600 -9.9400
10 S4a S 20.4400 -11.3400
11 C8y C 21.6300 -12.0400
12 C8x C 21.6300 -13.4400
13 C8x C 22.8900 -14.1400
14 C8y C 24.0800 -13.4400
15 C8y C 24.0800 -12.0400
16 C8x C 22.8900 -11.3400
17 O3c O 19.7400 -10.1500
18 O3c O 21.1400 -10.1500
19 N2b N 25.2700 -11.3400 #+
20 N1b N 25.2700 -14.1400
21 C1b C 26.4600 -13.4400
22 C1y C 27.6500 -14.1400
23 C1x C 27.6500 -15.5400
24 C1x C 28.9100 -16.2400
25 C1z C 30.1000 -15.5400
26 C1x C 30.1000 -14.1400
27 C1x C 28.9100 -13.4400
28 C1a C 31.5000 -15.5400
29 O1a O 30.1000 -16.9400
30 N1y N 13.2300 -14.1400
31 C1x C 12.0400 -13.4400
32 C1x C 10.7800 -14.1400
33 C1z C 10.7800 -15.5400
34 C1x C 11.9700 -16.2400
35 C1x C 13.2300 -15.5400
36 C1x C 9.4500 -15.1900
37 C1y C 9.0300 -16.5200
38 C1x C 10.4300 -16.8700
39 N1y N 7.8400 -17.2200
40 C1x C 6.5800 -16.6600
41 C1x C 5.6700 -17.6400
42 C1x C 6.3000 -18.8300
43 C1y C 7.6300 -18.5500
44 O3a O 26.4600 -12.0400 #-
45 O3a O 25.2700 -9.9400
46 C8y C 8.6800 -19.5300
47 C8y C 8.3300 -20.8600
48 C8x C 9.3800 -21.8400
49 C8x C 10.7100 -21.4200
50 C8x C 11.0600 -20.0200
51 C8x C 10.0100 -19.1100
52 C1c C 7.0000 -21.2800
53 C1a C 5.9500 -20.3700
54 C1a C 6.7200 -22.6800
55 O2a O 15.5928 -9.9401
56 C8y C 14.3849 -9.2624
57 C8x C 14.3681 -7.8401
58 C8y C 13.1474 -7.1545
59 C8y C 11.9434 -7.8689
60 N5x N 11.9602 -9.2911
61 C8x C 13.1809 -9.9767
62 C8x C 12.8401 -5.7887
63 C8x C 11.4462 -5.6588
64 N4x N 10.8919 -6.9445
BOND 72
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 5 7 1
8 7 8 1
9 7 9 2
10 8 10 1
11 10 11 1
12 11 12 2
13 12 13 1
14 13 14 2
15 14 15 1
16 15 16 2
17 11 16 1
18 10 17 2
19 10 18 2
20 15 19 1
21 14 20 1
22 20 21 1
23 22 21 1 #Up
24 22 23 1
25 23 24 1
26 24 25 1
27 25 26 1
28 26 27 1
29 22 27 1
30 25 28 1 #Up
31 25 29 1 #Down
32 2 30 1
33 30 31 1
34 31 32 1
35 32 33 1
36 33 34 1
37 34 35 1
38 30 35 1
39 33 36 1
40 36 37 1
41 37 38 1
42 33 38 1
43 37 39 1
44 39 40 1
45 40 41 1
46 41 42 1
47 42 43 1
48 39 43 1
49 19 44 1
50 19 45 2
51 43 46 1 #Down
52 46 47 2
53 47 48 1
54 48 49 2
55 49 50 1
56 50 51 2
57 46 51 1
58 47 52 1
59 52 53 1
60 52 54 1
61 6 55 1
62 55 56 1
63 56 57 2
64 57 58 1
65 58 59 2
66 59 60 1
67 60 61 2
68 56 61 1
69 58 62 1
70 62 63 2
71 63 64 1
72 59 64 1
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