| Biophores |
Example of a molecule containing the alert and main chemical group |
Statistical significancec |
Molecules containing alerts |
| no |
Structural alertª |
Chemical name/ main chemical group |
CAS no. |
% |
total |
active |
inactive |
| 6 |
cc(ccc)c |
2,3',4,4',5-Pentachlorobiphenyl/ Biphenyls |
31508-00-6 |
100 |
18 |
17 |
1 |
| 1 |
(Cl)ccccc |
Dichlofenthion/ polychlorbiphenyls |
97-17-6 |
99.8 |
35 |
26 |
9 |
| 15 |
c(O)cccc(O) |
2,4-Dihydroxybenzophenone/ Benzophenones |
131-56-6 |
99.6 |
8 |
8 |
0 |
| 2 |
c(Clccc)ccClb |
2,2',3',4,4',5-Hexachlorobiphenyl/ polychlorbiphenyls |
35065-28-2 |
99.7 |
26 |
20 |
6 |
| 3 |
(Br)ccc |
O-(4-Bromo-2,5-dichlorophenyl) O-methyl phenylphosphonothioate/ Brominated diphenyl ether |
21609-90-5 |
99.5 |
25 |
19 |
6 |
| 4 |
c1ccccc1b |
2,3,3',4,4'-Pentachlorobiphenyl/ Brominated diphenyl ether, polychlorbiphenyls |
32598-14-4 |
99.5 |
25 |
19 |
6 |
| 7 |
c(cc)cc |
2,3',4,4'-Tetrachlorobiphenyl/ Biphenyls |
32598-10-0 |
99.5 |
20 |
16 |
4 |
| 5 |
Ccc(C(=O)cc)ccb |
Chlorohydroxy benzophenone/ benzophenones |
85-19-8 |
98.8 |
23 |
17 |
6 |
| 8 |
Cc1ccccc1 |
4-(1,1,3,3-Tetramethylbutyl)phenol/ methylbenzene |
140-66-9 |
97.8 |
19 |
14 |
5 |
| 10 |
cc(OP(=S)O) |
Dichlofenthion/Phosphorbenzene |
97-17-6 |
96.7 |
18 |
13 |
5 |
| 11 |
(Cl)ccc(Cl) |
2,4,6-Trichlorophenylhydrazine/ chlorbenzene |
5329-12-4 |
96.7 |
18 |
13 |
5 |
| 12 |
ccc(cc)c |
7,12-Dimethylbenz(a)anthracene/ PAHs |
57-97-6 |
95.8 |
15 |
11 |
4 |
| 13 |
cccc(O)c |
Amiodaron/no main chemical group, structure: oxygen linked to ring structure |
1951-25-3 |
94.6 |
12 |
9 |
3 |
| 27 |
* |
Mevastatin |
73573-88-3 |
87.5 |
3 |
3 |
0 |
| *c(=o)occ2c(=c)ccc2CCc1cc(O)cc(=O)o1 |
| 26 |
ccc(c( C )) |
Mevastatin |
73573-88-3 |
84.4 |
5 |
4 |
1 |
| 33 |
CC( C )C |
Simvastatin |
79902-63-9 |
75.0 |
4 |
3 |
1 |
