Chelist Moleculee
JRC CODE:JRC-000403
cas:129453-61-8
einecs:
smiles:c1cc2c(cc1O)C[C@@H](CCCCCCCCC[S@@](CCCC(C(F)(F)F)(F)F)=O)[C@H]1[C@H]3[C@](C)(CC[C@H]21)[C@@H](O)CC3
name:Fulvestrant
MW:606.771
formula:C32H47F5O3S
InChi:
InChiKey:
SMARTS:
Other names
Faslodex
Fulvestrant
ICI 182780
ZD 182780
ZD 9238
ZM 182780
Estra-1,3,5(10)-triene-3,17-diol, 7-[9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl]-, (7α,17β)-

Search by similarity
Tanimoto index:
The algorithm applies nearest neighbor searching that finds molecules similar to the query object. The calculation applies the Tanimoto (or Jaccard) coefficient that is calculated by the following formula in the case of binary fingerprint (bit string) input: T(A,B) = NA&B/(NA+NB-NA&B) where NA and NB are the number of bits set in the bit strings of molecules A and B, respectively, NA&B is the number of bits that are set in both.

Inventory List where this chemical is present

TOX21 LIST1 (8205): Tox21 Chemical Inventory for High-Throughput Screening (International Research Projects)
FP6 ReProTect (133): Test chemicals used for the development of in vitro tests within the FP6 project .ReProTect (EU Research Projects)