User Information

• Synonyms (0)
• Vendors (0)
• Annotations (2)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (9)

ZINC04512517

• 4512517

Physical Representations

Activity (Go SEA)

• 14191330
  

  Analogs

  16425672

  

  16425675

  

  16425703

  

  16426079

  

  16426081

  

  Popular Name: N-[(1R)-1-[3-(4-cyanophenyl)-4-oxo-quinazolin-2-yl]ethyl]-N-(2-dimethylaminoethyl)decanamide N-[(1R)-1-[3-(4-cyanophenyl)-4-o…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • BindingDB.org

    • 50167783

  • ChEMBL12

    • CHEMBL196885

  • ChEMBL12 10uM

    • CHEMBL196885

  • ChEMBL19

    • CHEMBL196885

  • PubChem

    • 11386761

  Draw Identity 99% 90% 80% 70%

  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)	6.37	17.69	-53.33	1	7	1	83	516.71	14	↓ MOL2 SDF SMILES Flexibase

  More about ZINC14191330
• 33784823
  

  Analogs

  33784824

  

  34701653

  

  34701654

  

  16425212

  

  16425215

  

  Popular Name: N-[(1S)-1-[3-(2-ethylphenyl)-4-oxo-quinazolin-2-yl]ethyl]-4-methyl-N-pentyl-benzamide N-[(1S)-1-[3-(2-ethylphenyl)-4-o…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChEMBL12

    • CHEMBL581742

  • ChEMBL19

    • CHEMBL581742

  • ChemDB

    • 5876773

  • Collaborative Drug Discovery

    • 1007412

  • PubChem

    • 5217736

  Draw Identity 99% 90% 80% 70%

  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)	6.83	17.27	-13.24	0	5	0	55	481.64	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC33784823
• 33784824
  

  Analogs

  34701653

  

  34701654

  

  16425212

  

  16425215

  

  16425747

  

  Popular Name: N-[(1R)-1-[3-(2-ethylphenyl)-4-oxo-quinazolin-2-yl]ethyl]-4-methyl-N-pentyl-benzamide N-[(1R)-1-[3-(2-ethylphenyl)-4-o…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChEMBL12

    • CHEMBL581742

  • ChEMBL19

    • CHEMBL581742

  • ChemDB

    • 5876773

  • Collaborative Drug Discovery

    • 1007412

  • PubChem

    • 5217736

  Draw Identity 99% 90% 80% 70%

  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)	6.83	17.05	-12.19	0	5	0	55	481.64	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC33784824
• 36184715
  

  Analogs

  36184716

  

  4915766

  

  4915774

  

  Popular Name: N-(2-dimethylaminoethyl)-N-[(1S)-1-[4-oxo-3-(p-tolyl)quinazolin-2-yl]ethyl]decanamide N-(2-dimethylaminoethyl)-N-[(1S)…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • BindingDB.org

    • 50167781

  • ChEMBL12

    • CHEMBL193448

  • ChEMBL12 10uM

    • CHEMBL193448

  • ChEMBL19

    • CHEMBL193448

  • PubChem

    • 23593653

  Draw Identity 99% 90% 80% 70%

  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)	7.06	17.88	-48.09	1	6	1	60	505.727	14	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36184715
• 36184716
  

  Analogs

  4915766

  

  4915774

  

  Popular Name: N-(2-dimethylaminoethyl)-N-[(1R)-1-[4-oxo-3-(p-tolyl)quinazolin-2-yl]ethyl]decanamide N-(2-dimethylaminoethyl)-N-[(1R)…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • BindingDB.org

    • 50167781

  • ChEMBL12

    • CHEMBL193448

  • ChEMBL12 10uM

    • CHEMBL193448

  • ChEMBL19

    • CHEMBL193448

  • PubChem

    • 23593653

  Draw Identity 99% 90% 80% 70%

  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)	7.06	18.64	-58.24	1	6	1	60	505.727	14	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36184716
• 36184717
  

  Analogs

  36184718

  

  16425828

  

  16425830

  

  16425834

  

  Popular Name: N-[(1S)-1-[3-(2-cyanophenyl)-4-oxo-quinazolin-2-yl]ethyl]-N-(2-dimethylaminoethyl)decanamide N-[(1S)-1-[3-(2-cyanophenyl)-4-o…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • BindingDB.org

    • 50167780

  • ChEMBL12

    • CHEMBL370482

  • ChEMBL12 10uM

    • CHEMBL370482

  • ChEMBL19

    • CHEMBL370482

  • PubChem

    • 44402370

  Draw Identity 99% 90% 80% 70%

  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)	6.53	18.33	-51.91	1	7	1	83	516.71	14	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36184717
• 36184718
  

  Analogs

  16425828

  

  16425830

  

  16425834

  

  Popular Name: N-[(1R)-1-[3-(2-cyanophenyl)-4-oxo-quinazolin-2-yl]ethyl]-N-(2-dimethylaminoethyl)decanamide N-[(1R)-1-[3-(2-cyanophenyl)-4-o…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • BindingDB.org

    • 50167780

  • ChEMBL12

    • CHEMBL370482

  • ChEMBL12 10uM

    • CHEMBL370482

  • ChEMBL19

    • CHEMBL370482

  • PubChem

    • 44402370

  Draw Identity 99% 90% 80% 70%

  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)	6.53	18.57	-57.23	1	7	1	83	516.71	14	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36184718
• 45291502
  

  Analogs

  4917144

  

  4917145

  

  Popular Name: N-[(1S)-1-[3-(4-chloro-2-methyl-phenyl)-4-oxo-quinazolin-2-yl]propyl]-N-pentyl-3-phenyl-propanamide N-[(1S)-1-[3-(4-chloro-2-methyl-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChEMBL12

    • CHEMBL577860

  • ChEMBL19

    • CHEMBL577860

  • Collaborative Drug Discovery

    • 1010872

  • PubChem

    • 45489012

  Draw Identity 99% 90% 80% 70%

  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)	8.14	19.58	-10.93	0	5	0	55	530.112	11	↓ MOL2 SDF SMILES Flexibase

  More about ZINC45291502
• 45291505
  

  Analogs

  4917144

  

  4917145

  

  Popular Name: N-[(1R)-1-[3-(4-chloro-2-methyl-phenyl)-4-oxo-quinazolin-2-yl]propyl]-N-pentyl-3-phenyl-propanamide N-[(1R)-1-[3-(4-chloro-2-methyl-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChEMBL12

    • CHEMBL577860

  • ChEMBL19

    • CHEMBL577860

  • Collaborative Drug Discovery

    • 1010872

  • PubChem

    • 45489012

  Draw Identity 99% 90% 80% 70%

  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)	8.14	18.99	-10.76	0	5	0	55	530.112	11	↓ MOL2 SDF SMILES Flexibase

  More about ZINC45291505