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Chelist Moleculee
cas:147127-20-6
einecs:604-571-2
smiles:C[C@H](Cn1cnc2c(N)ncnc12)OCP(=O)(O)O
name:Phosphonic acid, P-[[(1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl]-
MW:287.2123
formula:C9H14N5O4P
InChi:
InChiKey:
SMARTS:
Other names
({[(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy}methyl)phosphonic acid
Tenofovir

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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)
REACH REG (19180): Reach Registrations (Regulatory)
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)
TOX21 LIST1 (8198): Tox21 Chemical Inventory for High-Throughput Screening (International Research Projects)