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39300920
39300920
39301122
39301122
39301137
39301137
45168139
45168139
45229187
45229187

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Popular Name: [3-[[4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone [3-[[4-(3-methylanilino)pyrimidi…

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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) 3.70 13.43 -46.07 3 7 1 75 403.51 5 ↓
Mid Mid (pH 6-8) 3.70 11.08 -13.37 2 7 0 73 402.502 5 ↓
Lo Low (pH 4.5-6) 3.70 13.83 -95.07 4 7 2 76 404.518 5 ↓

Parameters Provided:

ring.id = 603099
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 = 603099 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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