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Chelist Moleculee
cas:62571-86-2
einecs:263-607-1
smiles:C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O
name:captopril
MW:217.285
formula:C9H15NO3S
InChi:
InChiKey:
SMARTS:
Other names
Captopril

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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

TOX21 LIST1 (8205): Tox21 Chemical Inventory for High-Throughput Screening (International Research Projects)
Japanese TGx project (132): TG-GATEs (Genomics-Assisted Toxicity Evaluation System developed by the Toxicogenomics Project in Japan) (International Research Projects)
ESNATS (56): Compound selection for in vitro modeling of developmental neurotoxicity (EU Research Projects)
REACH PRS (143835): ECHA list of pre-registered substances (Regulatory)