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Analogs

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Popular Name: 5-chloro-N,N-dimethyl-6-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino] 5-chloro-N,N-dimethyl-6-[[(6R)-2…

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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) 0.11 6.15 -14.69 1 7 0 76 334.811 3 ↓
Lo Low (pH 4.5-6) 0.11 6.59 -40.77 2 7 1 77 335.819 3 ↓

Analogs

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Popular Name: 5-chloro-N,N-dimethyl-6-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino] 5-chloro-N,N-dimethyl-6-[[(6S)-2…

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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) 0.11 6.15 -14.16 1 7 0 76 334.811 3 ↓
Lo Low (pH 4.5-6) 0.11 6.59 -40.28 2 7 1 77 335.819 3 ↓

Analogs

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Popular Name: 6-[[(6R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyridine-3-carbonitrile 6-[[(6R)-2-ethyl-5,6,7,8-tetrahy…

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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) 0.87 6.41 -12.66 1 6 0 79 268.324 3 ↓
Lo Low (pH 4.5-6) 0.87 6.86 -41.13 2 6 1 81 269.332 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(6S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyridine-3-carbonitrile 6-[[(6S)-2-ethyl-5,6,7,8-tetrahy…

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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) 0.87 6.4 -12.6 1 6 0 79 268.324 3 ↓
Lo Low (pH 4.5-6) 0.87 6.86 -41.13 2 6 1 81 269.332 3 ↓

Analogs

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Popular Name: 2-[[(6R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyridine-3-carbonitrile 2-[[(6R)-2-ethyl-5,6,7,8-tetrahy…

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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) 0.81 6.87 -11.71 1 6 0 79 268.324 3 ↓
Lo Low (pH 4.5-6) 0.81 7.32 -34.63 2 6 1 81 269.332 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(6S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyridine-3-carbonitrile 2-[[(6S)-2-ethyl-5,6,7,8-tetrahy…

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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) 0.81 6.86 -11.7 1 6 0 79 268.324 3 ↓
Lo Low (pH 4.5-6) 0.81 7.32 -34.63 2 6 1 81 269.332 3 ↓

Analogs

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Popular Name: 6-[[(6R)-2-isopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyridine-3-carbonit 6-[[(6R)-2-isopropyl-5,6,7,8-tet…

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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) 1.35 6.87 -12.42 1 6 0 79 282.351 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(6S)-2-isopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyridine-3-carbonit 6-[[(6S)-2-isopropyl-5,6,7,8-tet…

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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) 1.35 6.86 -12.42 1 6 0 79 282.351 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(6R)-2-isopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyridine-3-carbonit 2-[[(6R)-2-isopropyl-5,6,7,8-tet…

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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) 1.30 7.32 -11.59 1 6 0 79 282.351 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(6S)-2-isopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyridine-3-carbonit 2-[[(6S)-2-isopropyl-5,6,7,8-tet…

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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) 1.30 7.32 -11.56 1 6 0 79 282.351 3 ↓

Parameters Provided:

ring.id = 404668
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 = 404668 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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