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Analogs

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Popular Name: (4S,7S)-2-(1,3-benzoxazol-2-ylamino)-4-(3,5-difluorophenyl)-7-phenyl-4,6,7,8-tetrahydro-1H-quinazoli (4S,7S)-2-(1,3-benzoxazol-2-ylam…

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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) 5.31 13.33 -23.56 2 6 0 80 470.479 4 ↓

Analogs

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Popular Name: (4R,7S)-2-(1,3-benzoxazol-2-ylamino)-4-(3,5-difluorophenyl)-7-phenyl-4,6,7,8-tetrahydro-1H-quinazoli (4R,7S)-2-(1,3-benzoxazol-2-ylam…

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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) 5.31 12.72 -24.27 2 6 0 80 470.479 4 ↓

Analogs

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Popular Name: (4S,7R)-2-(1,3-benzoxazol-2-ylamino)-4-(3,5-difluorophenyl)-7-phenyl-4,6,7,8-tetrahydro-1H-quinazoli (4S,7R)-2-(1,3-benzoxazol-2-ylam…

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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) 5.31 12.07 -22.66 2 6 0 80 470.479 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,7R)-2-(1,3-benzoxazol-2-ylamino)-4-(3,5-difluorophenyl)-7-phenyl-4,6,7,8-tetrahydro-1H-quinazoli (4R,7R)-2-(1,3-benzoxazol-2-ylam…

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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) 5.31 12.66 -22.06 2 6 0 80 470.479 4 ↓

Analogs

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Popular Name: (4R,7S)-2-(1,3-benzoxazol-2-ylamino)-4-(3,5-difluorophenyl)-7-(p-tolyl)-4,6,7,8-tetrahydro-1H-quinaz (4R,7S)-2-(1,3-benzoxazol-2-ylam…

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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) 5.76 14 -23.77 2 6 0 80 484.506 4 ↓

Analogs

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Popular Name: (4R,7R)-2-(1,3-benzoxazol-2-ylamino)-4-(3,5-difluorophenyl)-7-(p-tolyl)-4,6,7,8-tetrahydro-1H-quinaz (4R,7R)-2-(1,3-benzoxazol-2-ylam…

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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) 5.76 13.35 -22.01 2 6 0 80 484.506 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,7S)-2-(1,3-benzoxazol-2-ylamino)-4-(3,5-difluorophenyl)-7-(p-tolyl)-4,6,7,8-tetrahydro-1H-quinaz (4S,7S)-2-(1,3-benzoxazol-2-ylam…

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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) 5.76 14 -23.46 2 6 0 80 484.506 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,7R)-2-(1,3-benzoxazol-2-ylamino)-4-(3,5-difluorophenyl)-7-(p-tolyl)-4,6,7,8-tetrahydro-1H-quinaz (4S,7R)-2-(1,3-benzoxazol-2-ylam…

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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) 5.76 12.74 -22.63 2 6 0 80 484.506 4 ↓

Analogs

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Popular Name: (4R,7S)-2-(1,3-benzoxazol-2-ylamino)-4-(3,5-difluorophenyl)-7-(m-tolyl)-4,6,7,8-tetrahydro-1H-quinaz (4R,7S)-2-(1,3-benzoxazol-2-ylam…

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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) 5.74 12.73 -22.57 2 6 0 80 484.506 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,7R)-2-(1,3-benzoxazol-2-ylamino)-4-(3,5-difluorophenyl)-7-(m-tolyl)-4,6,7,8-tetrahydro-1H-quinaz (4R,7R)-2-(1,3-benzoxazol-2-ylam…

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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) 5.74 14 -23.47 2 6 0 80 484.506 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,7S)-2-(1,3-benzoxazol-2-ylamino)-4-(3,5-difluorophenyl)-7-(m-tolyl)-4,6,7,8-tetrahydro-1H-quinaz (4S,7S)-2-(1,3-benzoxazol-2-ylam…

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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) 5.74 12.74 -22.56 2 6 0 80 484.506 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,7R)-2-(1,3-benzoxazol-2-ylamino)-4-(3,5-difluorophenyl)-7-(m-tolyl)-4,6,7,8-tetrahydro-1H-quinaz (4S,7R)-2-(1,3-benzoxazol-2-ylam…

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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) 5.74 14.03 -23.73 2 6 0 80 484.506 4 ↓

Analogs

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Popular Name: (4R,7S)-2-(1,3-benzoxazol-2-ylamino)-4-(3,5-difluorophenyl)-7-(4-fluorophenyl)-4,6,7,8-tetrahydro-1H (4R,7S)-2-(1,3-benzoxazol-2-ylam…

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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) 5.47 12.78 -26.28 2 6 0 80 488.469 4 ↓

Analogs

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Popular Name: (4R,7R)-2-(1,3-benzoxazol-2-ylamino)-4-(3,5-difluorophenyl)-7-(4-fluorophenyl)-4,6,7,8-tetrahydro-1H (4R,7R)-2-(1,3-benzoxazol-2-ylam…

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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) 5.47 12.74 -24.38 2 6 0 80 488.469 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,7S)-2-(1,3-benzoxazol-2-ylamino)-4-(3,5-difluorophenyl)-7-(4-fluorophenyl)-4,6,7,8-tetrahydro-1H (4S,7S)-2-(1,3-benzoxazol-2-ylam…

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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) 5.47 13.4 -25.72 2 6 0 80 488.469 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,7R)-2-(1,3-benzoxazol-2-ylamino)-4-(3,5-difluorophenyl)-7-(4-fluorophenyl)-4,6,7,8-tetrahydro-1H (4S,7R)-2-(1,3-benzoxazol-2-ylam…

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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) 5.47 12.15 -24.81 2 6 0 80 488.469 4 ↓

Parameters Provided:

ring.id = 111233
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 = 111233 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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