| Entry |
|
|---|
| Name |
Ravoxertinib (USAN/INN) |
|---|
| Formula |
C21H18ClFN6O2
|
|---|
| Exact mass |
440.1164
|
|---|
| Mol weight |
440.858
|
|---|
| Structure |
|
|---|
| Efficacy |
Antineoplastic |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine kinases
CMGC group
ERK
D11285 Ravoxertinib (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 31
1 C8y C 15.8900 -19.5300
2 N5x N 15.8900 -20.9300
3 C8x C 17.1024 -21.6300
4 C8x C 18.3149 -20.9300
5 C8y C 18.3149 -19.5300
6 N5x N 17.1024 -18.8300
7 N1b N 14.6776 -18.8300
8 C8y C 13.4850 -19.5143
9 N4y N 12.3920 -18.6873
10 N5x N 11.2678 -19.4712
11 C8x C 11.6658 -20.7827
12 C8x C 13.0362 -20.8093
13 C1a C 12.4192 -17.2987
14 C8y C 19.5460 -18.8190
15 C8x C 20.7512 -19.5147
16 C8y C 21.9635 -18.8146
17 N4y N 21.9635 -17.4146
18 C8x C 20.7583 -16.7189
19 C8x C 19.5459 -17.4190
20 C1c C 23.1814 -16.7112
21 C8y C 24.3934 -17.4107
22 C8x C 24.3940 -18.8296
23 C8y C 25.6067 -19.5290
24 C8y C 26.8189 -18.8285
25 C8x C 26.8182 -17.4096
26 C8x C 25.6055 -16.7102
27 C1b C 23.1811 -15.3300
28 O1a O 21.9602 -14.6255
29 X Cl 28.0256 -19.5245
30 X F 25.6074 -20.9299
31 O5x O 23.1951 -19.5254
BOND 34
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 1 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 2
12 11 12 1
13 8 12 2
14 9 13 1
15 5 14 1
16 14 15 2
17 15 16 1
18 16 17 1
19 17 18 1
20 18 19 2
21 14 19 1
22 17 20 1
23 20 21 1
24 21 22 2
25 22 23 1
26 23 24 2
27 24 25 1
28 25 26 2
29 21 26 1
30 20 27 1 #Down
31 27 28 1
32 24 29 1
33 23 30 1
34 16 31 2
|
|---|
