| Entry |
|
|---|
| Name |
Abivertinib maleate (USAN) |
|---|
| Formula |
C26H26FN7O2. C4H4O4. 2H2O
|
|---|
| Exact mass |
639.2453
|
|---|
| Mol weight |
639.63
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antineoplastic |
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 46
1 C1x C 24.6867 -16.8541
2 N1y N 24.6867 -15.4554
3 C1x C 25.8756 -14.7561
4 C1x C 27.1344 -15.4554
5 N1y N 27.1344 -16.8541
6 C1x C 25.8756 -17.5535
7 C1a C 28.3233 -17.5535
8 C8y C 23.4979 -14.7561
9 C8y C 22.3090 -15.4554
10 C8x C 21.0502 -14.7561
11 C8y C 21.0502 -13.3574
12 C8x C 22.2391 -12.6581
13 C8x C 23.4979 -13.3574
14 X F 22.3090 -16.8541
15 N1b N 19.8613 -12.6581
16 C8y C 18.6724 -13.3574
17 N5x N 18.6724 -14.7561
18 C8y C 17.4136 -15.4554
19 C8y C 16.2247 -14.7561
20 C8y C 16.2247 -13.3574
21 N5x N 17.4136 -12.6581
22 N4x N 14.8960 -12.9378
23 C8x C 14.0568 -14.0568
24 C8x C 14.8960 -15.1757
25 O2a O 17.4136 -16.8541
26 C8y C 16.1548 -17.5535
27 C8y C 13.7071 -17.5535
28 C8x C 13.7071 -18.9522
29 C8x C 14.8960 -19.6515
30 C8x C 16.1548 -18.9522
31 C8x C 14.8960 -16.8541
32 N1b N 12.5182 -16.8541
33 C5a C 11.3293 -17.5535
34 C2b C 10.0705 -16.8541
35 O5a O 11.3293 -18.9522
36 C2a C 8.9516 -17.5535
37 C2b C 33.1800 -14.3500
38 C2b C 34.5800 -14.3500
39 C6a C 35.2800 -15.5624
40 C6a C 32.4800 -15.5624
41 O6a O 31.0802 -15.5624
42 O6a O 36.6798 -15.5624
43 O6a O 34.5896 -16.7579
44 O6a O 33.1704 -16.7579
45 O0 O 33.1100 -19.7400
46 O0 O 35.8400 -19.6700
BOND 47
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 5 7 1
8 2 8 1
9 8 9 2
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 8 13 1
15 9 14 1
16 11 15 1
17 15 16 1
18 16 17 2
19 17 18 1
20 18 19 2
21 19 20 1
22 20 21 2
23 16 21 1
24 20 22 1
25 22 23 1
26 23 24 2
27 19 24 1
28 18 25 1
29 25 26 1
30 27 28 2
31 28 29 1
32 29 30 2
33 30 26 1
34 26 31 2
35 27 31 1
36 27 32 1
37 32 33 1
38 33 34 1
39 33 35 2
40 34 36 2
41 37 38 2
42 38 39 1
43 37 40 1
44 40 41 1
45 39 42 2
46 39 43 1
47 40 44 2
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