Chelist Moleculee
cas:122320-73-4
einecs:
smiles:CN(CCOc2ccc(CC1SC(=O)NC1=O)cc2)c3ccccn3
name:Rosiglitazone
MW:357.427
formula:C18H19N3O3S
InChi:
InChiKey:
SMARTS:
Other names
Rosiglitazone

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)
PREDICT-IV (29): Reference chemicals used in the PREDICT-IV FP 7IP to evaluate drug-induced toxicity using non animal-based approach integrating toxicodynamics and biokinetics (EU Research Projects)
ESNATS (56): Compound selection for in vitro modeling of developmental neurotoxicity (EU Research Projects)