| Entry |
|
|---|
| Name |
Benzodepa (USAN/INN) |
|---|
| Formula |
C12H16N3O3P
|
|---|
| Exact mass |
281.0929
|
|---|
| Mol weight |
281.25
|
|---|
| Structure |
|
|---|
| Class |
|
|---|
| Efficacy |
Antineoplastic, Alkylating agent |
|---|
| Comment |
thiotepa derivative
|
|---|
| Target |
DNA |
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG01677 Alkylating agent
DG01723 Ethylene imine
DG01722 Thiotepa type ethylene imine
D03090 Benzodepa
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 19
1 P1a P 25.9513 -16.4270
2 N1y N 24.5600 -16.4270
3 N1b N 27.3427 -16.4270
4 N1y N 25.9513 -15.0357
5 O3b O 25.9513 -17.8184
6 C1x C 23.3774 -17.1227
7 C1x C 23.3774 -15.7313
8 C1x C 25.2557 -13.7834
9 C1x C 26.6470 -13.7834
10 C7a C 28.0014 -17.6371
11 O7a O 29.3772 -17.6720
12 O6a O 27.2596 -18.8503
13 C1b C 30.1121 -16.4707
14 C8y C 31.5394 -16.4370
15 C8x C 32.2815 -17.6557
16 C8x C 33.6811 -17.6230
17 C8x C 34.3526 -16.3946
18 C8x C 33.6105 -15.1758
19 C8x C 32.2109 -15.2085
BOND 21
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 2
5 2 6 1
6 2 7 1
7 4 8 1
8 4 9 1
9 6 7 1
10 8 9 1
11 3 10 1
12 10 11 1
13 10 12 2
14 11 13 1
15 13 14 1
16 14 15 2
17 15 16 1
18 16 17 2
19 17 18 1
20 18 19 2
21 14 19 1
|
|---|
