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Chelist Moleculee
cas:50-48-6
einecs:200-041-6
smiles:CN(C)CCC=C1c2ccccc2CCc3ccccc13
name:Amitriptyline
MW:277.4033
formula:C20H23N
InChi:
InChiKey:
SMARTS:
Other names
Amitriptyline
amitriptyline

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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

JRC METABOLISM BIOACCUMULATION (94): JRC ADME - Human bioaccumulation potential and human and rat metabolic stability and metabolite identification (JRC Projects)
REACH PRS (143835): ECHA list of pre-registered substances (Regulatory)
REACH REG (15811): Reach Registrations (Regulatory)