| Entry |
|
|---|
| Name |
Rogletimide (USAN/INN) |
|---|
| Formula |
C12H14N2O2
|
|---|
| Exact mass |
218.1055
|
|---|
| Mol weight |
218.25
|
|---|
| Structure |
|
|---|
| Efficacy |
Antineoplastic, Estrogen biosynthesis inhibitor |
|---|
| Comment |
Aromatase inhibitor
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Cytochrome P450
CYP19A1 (ARO)
D05746 Rogletimide (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 16
1 C8x C 22.2600 -15.8200
2 N5x N 22.2600 -14.4200
3 C8x C 21.0700 -13.7200
4 C8x C 19.8800 -14.4200
5 C8y C 19.8800 -15.8200
6 C8x C 21.0700 -16.5200
7 C1z C 18.6200 -16.5200
8 C5x C 17.4300 -15.8200
9 N1x N 16.1700 -16.5200
10 C5x C 16.1700 -17.9200
11 C1x C 17.4300 -18.6200
12 C1x C 18.6200 -17.9200
13 C1b C 19.8100 -17.2200
14 O5x O 17.4300 -14.4200
15 O5x O 14.9800 -18.6200
16 C1a C 21.2100 -17.2200
BOND 17
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 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 7 12 1
14 7 13 1
15 8 14 2
16 10 15 2
17 13 16 1
|
|---|
