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Popular Name: N-[(1S,2R)-2-phenylcyclopropyl]-2,1,3-benzoxadiazole-5-carboxamide N-[(1S,2R)-2-phenylcyclopropyl]-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HYES-2-E Epoxide Hydrolase 2 (cluster #2 Of 3), Eukaryotic Eukaryotes 240 0.44 Binding ≤ 10μM
CP2CJ-1-E Cytochrome P450 2C19 (cluster #1 Of 3), Eukaryotic Eukaryotes 10000 0.33 ADME/T ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HYES_HUMAN P34913 Epoxide Hydratase, Human 61.6595002 0.48 Binding ≤ 1μM
HYES_RAT P80299 Epoxide Hydrolase 2, Rat 239.883292 0.44 Binding ≤ 1μM
HYES_HUMAN P34913 Epoxide Hydratase, Human 61.6595002 0.48 Binding ≤ 10μM
HYES_RAT P80299 Epoxide Hydrolase 2, Rat 239.883292 0.44 Binding ≤ 10μM
CP2CJ_HUMAN P33261 Cytochrome P450 2C19, Human 10000 0.33 ADME/T ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.77 6.31 -14.55 1 5 0 68 279.299 3 ↓

Parameters Provided:

ring.id = 484603
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 484603 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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