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Chelist Moleculee
cas:85721-33-1
einecs:617-751-0
smiles:OC(=O)C1=CN(C2CC2)c3cc(N4CCNCC4)c(F)cc3C1=O
name:3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-
MW:331.3415
formula:C17H18FN3O3
InChi:
InChiKey:
SMARTS:
Other names
Ciprofloxacin

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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 (143825): ECHA list of pre-registered substances (Regulatory)
ECVAMes_Positives List (723): ECVAM Ames Positives List: EURL ECVAM Genotoxicity and Carcinogenicity Database of Ames Positive Chemicals (JRC 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)