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Popular Name: N-cyclopropyl-3-ethyl-4-oxo-2-sulfanyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]quinazoline-7-carb N-cyclopropyl-3-ethyl-4-oxo-2-su…

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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) 4.01 11.51 -43.33 0 5 -1 61 460.501 6 ↓
Mid Mid (pH 6-8) 3.55 12.78 -14.53 1 5 0 58 461.509 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-3-ethyl-4-oxo-2-sulfanyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]quinazoline-7-carb N-cyclopropyl-3-ethyl-4-oxo-2-su…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.01 11.17 -41.84 0 5 -1 61 460.501 6 ↓
Mid Mid (pH 6-8) 3.55 12.45 -12.31 1 5 0 58 461.509 6 ↓

Parameters Provided:

ring.id = 179813
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 = 179813 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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