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Chelist Moleculee
cas:82558-50-7
einecs:617-354-2
smiles:CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1
name:Benzamide, N-[3-(1-ethyl-1-methylpropyl)-5-isoxazolyl]-2,6-dimethoxy-
MW:332.3942
formula:C18H24N2O4
InChi:
InChiKey:
SMARTS:
Other names
N-[3-(1-ethyl-1-methylpropyl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide
Isoxaben

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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

REACH PRS (143835): ECHA list of pre-registered substances (Regulatory)
TOX21 LIST1 (8205): Tox21 Chemical Inventory for High-Throughput Screening (International Research Projects)
TOXCAST PHASE I (320): US EPA ToxCast list - phase I (International Research Projects)
REACH REG (15811): Reach Registrations (Regulatory)
JRC METABOLISM BIOACCUMULATION (94): JRC ADME - Human bioaccumulation potential and human and rat metabolic stability and metabolite identification (JRC Projects)