| Entry |
|
|---|
| Name |
Sapacitabine (USAN/INN) |
|---|
| Formula |
C26H42N4O5
|
|---|
| Exact mass |
490.3155
|
|---|
| Mol weight |
490.6355
|
|---|
| Structure |
|
|---|
| Class |
Antineoplastic
DG02018 Antimetabolite
DG01958 Nucleic acid derivative, antineoplastic
DG01439 Arabinofuranosyl type antineoplastic
|
|---|
| Efficacy |
Antineoplastic, Antimetabolite |
|---|
| Comment |
nucleoside analog
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG02018 Antimetabolite
DG01958 Nucleic acid derivative, antineoplastic
DG01439 Arabinofuranosyl type antineoplastic
D09722 Sapacitabine
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 35
1 C8y C 21.4200 -17.2900
2 N4y N 21.4200 -18.6900
3 C8x C 22.6100 -19.3900
4 C8x C 23.8700 -18.6900
5 C8y C 23.8700 -17.2900
6 N5x N 22.6100 -16.5900
7 N1b N 25.0600 -16.5900
8 C5a C 26.2500 -17.2900
9 C1b C 27.4400 -16.5900
10 C1b C 28.6300 -17.2900
11 C1b C 29.8200 -16.5900
12 C1b C 31.0100 -17.2900
13 O5x O 20.2300 -16.5900
14 O5a O 26.2500 -18.6900
15 C1b C 32.2000 -16.5900
16 C1b C 33.3900 -17.2900
17 C1b C 34.5800 -16.5900
18 C1b C 35.7700 -17.2900
19 C1b C 36.9600 -16.5900
20 C1b C 38.1500 -17.2900
21 C1b C 39.3400 -16.5900
22 C1b C 40.5300 -17.2900
23 C1b C 41.7200 -16.5900
24 C1b C 42.9100 -17.2900
25 C1a C 44.1000 -16.5900
26 C1y C 20.2300 -19.3900
27 C1y C 18.4100 -20.7200
28 C1y C 19.8100 -20.7200
29 O2x O 19.1100 -18.5500
30 C1y C 17.9900 -19.3900
31 C3b C 20.6500 -21.8400
32 O1a O 17.5700 -21.8400
33 C1b C 16.8000 -18.6900
34 O1a O 15.5819 -19.3801
35 N3a N 21.4999 -22.9699
BOND 36
1 1 2 1
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 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 1 13 2
14 8 14 2
15 12 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 18 19 1
20 19 20 1
21 20 21 1
22 21 22 1
23 22 23 1
24 23 24 1
25 24 25 1
26 26 2 1 #Up
27 27 28 1
28 28 26 1
29 26 29 1
30 29 30 1
31 27 30 1
32 28 31 1 #Up
33 27 32 1 #Down
34 30 33 1 #Up
35 33 34 1
36 31 35 3
|
|---|
