Chelist Moleculee
cas:100784-20-1
einecs:600-130-3
smiles:COC(=O)c1c(Cl)nn(C)c1S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2
name:1h-Pyrazole-4-Carboxylic Acid, 3-Chloro-5-[[[[(4,6-Dimethoxy-2-Pyrimidinyl)Amino]Carbonyl]Amino]Sulfonyl]-1-Methyl-, Methyl Ester
MW:434.812
formula:C13H15ClN6O7S
InChi:
InChiKey:
SMARTS:

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

TOXCAST PHASE I (320): US EPA ToxCast list - phase I (International Research Projects)
REACH PRS (143835): ECHA list of pre-registered substances (Regulatory)