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Analogs

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Popular Name: N-[2-(isobutylcarbamoyl)phenyl]-6-oxo-1-phenyl-4,5-dihydro-1,2,4-triazine-3-carboxamide N-[2-(isobutylcarbamoyl)phenyl]-…

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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) 1.98 6.73 -16.65 3 8 0 103 393.447 6 ↓

Analogs

25859293
25859293
25859306
25859306

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Popular Name: N-[2-[[(1R)-1-methylpropyl]carbamoyl]phenyl]-6-oxo-1-phenyl-4,5-dihydro-1,2,4-triazine-3-carboxamide N-[2-[[(1R)-1-methylpropyl]carba…

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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) 2.06 6.93 -16.7 3 8 0 103 393.447 6 ↓

Analogs

25859293
25859293
25859306
25859306

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Popular Name: N-[2-[[(1S)-1-methylpropyl]carbamoyl]phenyl]-6-oxo-1-phenyl-4,5-dihydro-1,2,4-triazine-3-carboxamide N-[2-[[(1S)-1-methylpropyl]carba…

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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) 2.06 6.94 -16.69 3 8 0 103 393.447 6 ↓

Analogs

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Popular Name: (5S)-N-[2-(allylcarbamoyl)phenyl]-5-methyl-6-oxo-1-phenyl-4,5-dihydro-1,2,4-triazine-3-carboxamide (5S)-N-[2-(allylcarbamoyl)phenyl…

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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) 1.83 6.34 -16.25 3 8 0 103 391.431 6 ↓

Analogs

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Popular Name: (5R)-N-[2-(allylcarbamoyl)phenyl]-5-methyl-6-oxo-1-phenyl-4,5-dihydro-1,2,4-triazine-3-carboxamide (5R)-N-[2-(allylcarbamoyl)phenyl…

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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) 1.83 6.4 -16.56 3 8 0 103 391.431 6 ↓

Analogs

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Popular Name: N-[2-(allylcarbamoyl)phenyl]-6-oxo-1-phenyl-4,5-dihydro-1,2,4-triazine-3-carboxamide N-[2-(allylcarbamoyl)phenyl]-6-o…

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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) 1.50 5.73 -16.47 3 8 0 103 377.404 6 ↓

Analogs

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Popular Name: 6-oxo-1-phenyl-N-[2-(propylcarbamoyl)phenyl]-4,5-dihydro-1,2,4-triazine-3-carboxamide 6-oxo-1-phenyl-N-[2-(propylcarba…

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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) 1.73 5.97 -17.05 3 8 0 103 379.42 6 ↓

Analogs

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Popular Name: (5R)-N-[4-(difluoromethoxy)-3-fluoro-phenyl]-5-methyl-6-oxo-1-phenyl-4,5-dihydro-1,2,4-triazine-3-ca (5R)-N-[4-(difluoromethoxy)-3-fl…

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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) 2.75 5.89 -13.14 2 7 0 83 392.337 5 ↓
Hi High (pH 8-9.5) 2.93 4.09 -44.07 1 7 -1 89 391.329 5 ↓

Parameters Provided:

ring.id = 12615
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 = 12615 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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