tert-butyl N-[[2-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]-N-(2-methoxyethyl)carbamate;tert-butyl N-[[2-[7-[4-(2,4-dioxo-5-phenylpentyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]-N-(2-methoxyethyl)carbamate;tert-butyl N-[[2-[7-[2-fluoro-4-(4-oxo-5-phenyl-2-sulfanylidenepentyl)phenoxy]thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]-N-(2-methoxyethyl)carbamate;S-cyano 2-phenylethanethioate;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-phenylpentane-2,4-dione;5-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-4-sulfanylidenepentan-2-one;methane;3-oxo-4-phenylbutanoic acid

C188H207F5N22O26S8 — CID 157476045

About tert-butyl N-[[2-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]-N-(2-methoxyethyl)carbamate;tert-butyl N-[[2-[7-[4-(2,4-dioxo-5-phenylpentyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]-N-(2-methoxyethyl)carbamate;tert-butyl N-[[2-[7-[2-fluoro-4-(4-oxo-5-phenyl-2-sulfanylidenepentyl)phenoxy]thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]-N-(2-methoxyethyl)carbamate;S-cyano 2-phenylethanethioate;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-phenylpentane-2,4-dione;5-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-4-sulfanylidenepentan-2-one;methane;3-oxo-4-phenylbutanoic acid

tert-butyl N-[[2-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]-N-(2-methoxyethyl)carbamate;tert-butyl N-[[2-[7-[4-(2,4-dioxo-5-phenylpentyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]-N-(2-methoxyethyl)carbamate;tert-butyl N-[[2-[7-[2-fluoro-4-(4-oxo-5-phenyl-2-sulfanylidenepentyl)phenoxy]thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]-N-(2-methoxyethyl)carbamate;S-cyano 2-phenylethanethioate;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-phenylpentane-2,4-dione;5-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-4-sulfanylidenepentan-2-one;methane;3-oxo-4-phenylbutanoic acid (PubChem CID 157476045) has the molecular formula C188H207F5N22O26S8 and a molecular weight of 3542.38 g/mol. Its IUPAC name is tert-butyl N-[[2-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]-N-(2-methoxyethyl)carbamate;tert-butyl N-[[2-[7-[4-(2,4-dioxo-5-phenylpentyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]-N-(2-methoxyethyl)carbamate;tert-butyl N-[[2-[7-[2-fluoro-4-(4-oxo-5-phenyl-2-sulfanylidenepentyl)phenoxy]thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]-N-(2-methoxyethyl)carbamate;S-cyano 2-phenylethanethioate;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-phenylpentane-2,4-dione;5-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-4-sulfanylidenepentan-2-one;methane;3-oxo-4-phenylbutanoic acid.

Molecular Properties

• Compound Name: tert-butyl N-[[2-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]-N-(2-methoxyethyl)carbamate;tert-butyl N-[[2-[7-[4-(2,4-dioxo-5-phenylpentyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]-N-(2-methoxyethyl)carbamate;tert-butyl N-[[2-[7-[2-fluoro-4-(4-oxo-5-phenyl-2-sulfanylidenepentyl)phenoxy]thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]-N-(2-methoxyethyl)carbamate;S-cyano 2-phenylethanethioate;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-phenylpentane-2,4-dione;5-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-4-sulfanylidenepentan-2-one;methane;3-oxo-4-phenylbutanoic acid
• PubChem CID: 157476045
• Molecular Formula: C188H207F5N22O26S8
• Molecular Weight: 3542.38 g/mol
• Exact Mass: 3539.32
• IUPAC Name: tert-butyl N-[[2-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]-N-(2-methoxyethyl)carbamate;tert-butyl N-[[2-[7-[4-(2,4-dioxo-5-phenylpentyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]-N-(2-methoxyethyl)carbamate;tert-butyl N-[[2-[7-[2-fluoro-4-(4-oxo-5-phenyl-2-sulfanylidenepentyl)phenoxy]thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]-N-(2-methoxyethyl)carbamate;S-cyano 2-phenylethanethioate;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-phenylpentane-2,4-dione;5-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-4-sulfanylidenepentan-2-one;methane;3-oxo-4-phenylbutanoic acid
• SMILES: C.C.C.C.C.COCCN(Cc1cnc(-c2cc3nccc(Oc4ccc(CC(=O)CC(=O)Cc5ccccc5)cc4F)c3s2)n1C)C(=O)OC(C)(C)C.COCCN(Cc1cnc(-c2cc3nccc(Oc4ccc(CC(=S)CC(=O)Cc5ccccc5)cc4F)c3s2)n1C)C(=O)OC(C)(C)C.COCCN(Cc1cnc(-c2cc3nccc(Oc4ccc(N)cc4F)c3s2)n1C)C(=O)OC(C)(C)C.COCCNCc1cnc(-c2cc3nccc(Oc4ccc(CC(=O)CC(=O)Cc5ccccc5)cc4F)c3s2)n1C.COCCNCc1cnc(-c2cc3nccc(Oc4ccc(CC(=S)CC(=O)Cc5ccccc5)cc4F)c3s2)n1C.N#CSC(=O)Cc1ccccc1.O=C(O)CC(=O)Cc1ccccc1
• InChI: InChI=1S/C37H39FN4O6S.C37H39FN4O5S2.C32H31FN4O4S.C32H31FN4O3S2.C26H30FN5O4S.C10H10O3.C9H7NOS.5CH4/c1-37(2,3)48-36(45)42(15-16-46-5)23-26-22-40-35(41(26)4)33-21-30-34(49-33)32(13-14-39-30)47-31-12-11-25(19-29(31)38)18-28(44)20-27(43)17-24-9-7-6-8-10-24;1-37(2,3)47-36(44)42(15-16-45-5)23-26-22-40-35(41(26)4)33-21-30-34(49-33)32(13-14-39-30)46-31-12-11-25(19-29(31)38)18-28(48)20-27(43)17-24-9-7-6-8-10-24;1-37-23(19-34-12-13-40-2)20-36-32(37)30-18-27-31(42-30)29(10-11-35-27)41-28-9-8-22(16-26(28)33)15-25(39)17-24(38)14-21-6-4-3-5-7-21;1-37-23(19-34-12-13-39-2)20-36-32(37)30-18-27-31(42-30)29(10-11-35-27)40-28-9-8-22(16-26(28)33)15-25(41)17-24(38)14-21-6-4-3-5-7-21;1-26(2,3)36-25(33)32(10-11-34-5)15-17-14-30-24(31(17)4)22-13-19-23(37-22)21(8-9-29-19)35-20-7-6-16(28)12-18(20)27;11-9(7-10(12)13)6-8-4-2-1-3-5-8;10-7-12-9(11)6-8-4-2-1-3-5-8;;;;;/h2*6-14,19,21-22H,15-18,20,23H2,1-5H3;2*3-11,16,18,20,34H,12-15,17,19H2,1-2H3;6-9,12-14H,10-11,15,28H2,1-5H3;1-5H,6-7H2,(H,12,13);1-5H,6H2;5*1H4
• InChIKey: BVPITEHPINNORZ-UHFFFAOYSA-N
• XLogP: 39.62
• TPSA: 582.20 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 52
• Rotatable Bonds: 70
• Heavy Atoms: 249
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3542.38
LogP ≤ 5	39.62
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]-N-(2-methoxyethyl)carbamate;tert-butyl N-[[2-[7-[4-(2,4-dioxo-5-phenylpentyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]-N-(2-methoxyethyl)carbamate;tert-butyl N-[[2-[7-[2-fluoro-4-(4-oxo-5-phenyl-2-sulfanylidenepentyl)phenoxy]thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]-N-(2-methoxyethyl)carbamate;S-cyano 2-phenylethanethioate;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-phenylpentane-2,4-dione;5-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-4-sulfanylidenepentan-2-one;methane;3-oxo-4-phenylbutanoic acid?

The IUPAC name of tert-butyl N-[[2-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]-N-(2-methoxyethyl)carbamate;tert-butyl N-[[2-[7-[4-(2,4-dioxo-5-phenylpentyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]-N-(2-methoxyethyl)carbamate;tert-butyl N-[[2-[7-[2-fluoro-4-(4-oxo-5-phenyl-2-sulfanylidenepentyl)phenoxy]thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]-N-(2-methoxyethyl)carbamate;S-cyano 2-phenylethanethioate;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-phenylpentane-2,4-dione;5-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-4-sulfanylidenepentan-2-one;methane;3-oxo-4-phenylbutanoic acid (CID 157476045) is tert-butyl N-[[2-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]-N-(2-methoxyethyl)carbamate;tert-butyl N-[[2-[7-[4-(2,4-dioxo-5-phenylpentyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]-N-(2-methoxyethyl)carbamate;tert-butyl N-[[2-[7-[2-fluoro-4-(4-oxo-5-phenyl-2-sulfanylidenepentyl)phenoxy]thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]-N-(2-methoxyethyl)carbamate;S-cyano 2-phenylethanethioate;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-phenylpentane-2,4-dione;5-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-4-sulfanylidenepentan-2-one;methane;3-oxo-4-phenylbutanoic acid.

What is the SMILES notation for tert-butyl N-[[2-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]-N-(2-methoxyethyl)carbamate;tert-butyl N-[[2-[7-[4-(2,4-dioxo-5-phenylpentyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]-N-(2-methoxyethyl)carbamate;tert-butyl N-[[2-[7-[2-fluoro-4-(4-oxo-5-phenyl-2-sulfanylidenepentyl)phenoxy]thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]-N-(2-methoxyethyl)carbamate;S-cyano 2-phenylethanethioate;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-phenylpentane-2,4-dione;5-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-4-sulfanylidenepentan-2-one;methane;3-oxo-4-phenylbutanoic acid?

The canonical SMILES for tert-butyl N-[[2-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]-N-(2-methoxyethyl)carbamate;tert-butyl N-[[2-[7-[4-(2,4-dioxo-5-phenylpentyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]-N-(2-methoxyethyl)carbamate;tert-butyl N-[[2-[7-[2-fluoro-4-(4-oxo-5-phenyl-2-sulfanylidenepentyl)phenoxy]thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]-N-(2-methoxyethyl)carbamate;S-cyano 2-phenylethanethioate;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-phenylpentane-2,4-dione;5-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-4-sulfanylidenepentan-2-one;methane;3-oxo-4-phenylbutanoic acid is C.C.C.C.C.COCCN(Cc1cnc(-c2cc3nccc(Oc4ccc(CC(=O)CC(=O)Cc5ccccc5)cc4F)c3s2)n1C)C(=O)OC(C)(C)C.COCCN(Cc1cnc(-c2cc3nccc(Oc4ccc(CC(=S)CC(=O)Cc5ccccc5)cc4F)c3s2)n1C)C(=O)OC(C)(C)C.COCCN(Cc1cnc(-c2cc3nccc(Oc4ccc(N)cc4F)c3s2)n1C)C(=O)OC(C)(C)C.COCCNCc1cnc(-c2cc3nccc(Oc4ccc(CC(=O)CC(=O)Cc5ccccc5)cc4F)c3s2)n1C.COCCNCc1cnc(-c2cc3nccc(Oc4ccc(CC(=S)CC(=O)Cc5ccccc5)cc4F)c3s2)n1C.N#CSC(=O)Cc1ccccc1.O=C(O)CC(=O)Cc1ccccc1.

What is the InChIKey of tert-butyl N-[[2-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]-N-(2-methoxyethyl)carbamate;tert-butyl N-[[2-[7-[4-(2,4-dioxo-5-phenylpentyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]-N-(2-methoxyethyl)carbamate;tert-butyl N-[[2-[7-[2-fluoro-4-(4-oxo-5-phenyl-2-sulfanylidenepentyl)phenoxy]thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]-N-(2-methoxyethyl)carbamate;S-cyano 2-phenylethanethioate;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-phenylpentane-2,4-dione;5-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-4-sulfanylidenepentan-2-one;methane;3-oxo-4-phenylbutanoic acid?

The InChIKey is BVPITEHPINNORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H39FN4O6S.C37H39FN4O5S2.C32H31FN4O4S.C32H31FN4O3S2.C26H30FN5O4S.C10H10O3.C9H7NOS.5CH4/c1-37(2,3)48-36(45)42(15-16-46-5)23-26-22-40-35(41(26)4)33-21-30-34(49-33)32(13-14-39-30)47-31-12-11-25(19-29(31)38)18-28(44)20-27(43)17-24-9-7-6-8-10-24;1-37(2,3)47-36(44)42(15-16-45-5)23-26-22-40-35(41(26)4)33-21-30-34(49-33)32(13-14-39-30)46-31-12-11-25(19-29(31)38)18-28(48)20-27(43)17-24-9-7-6-8-10-24;1-37-23(19-34-12-13-40-2)20-36-32(37)30-18-27-31(42-30)29(10-11-35-27)41-28-9-8-22(16-26(28)33)15-25(39)17-24(38)14-21-6-4-3-5-7-21;1-37-23(19-34-12-13-39-2)20-36-32(37)30-18-27-31(42-30)29(10-11-35-27)40-28-9-8-22(16-26(28)33)15-25(41)17-24(38)14-21-6-4-3-5-7-21;1-26(2,3)36-25(33)32(10-11-34-5)15-17-14-30-24(31(17)4)22-13-19-23(37-22)21(8-9-29-19)35-20-7-6-16(28)12-18(20)27;11-9(7-10(12)13)6-8-4-2-1-3-5-8;10-7-12-9(11)6-8-4-2-1-3-5-8;;;;;/h2*6-14,19,21-22H,15-18,20,23H2,1-5H3;2*3-11,16,18,20,34H,12-15,17,19H2,1-2H3;6-9,12-14H,10-11,15,28H2,1-5H3;1-5H,6-7H2,(H,12,13);1-5H,6H2;5*1H4.

What are the key properties of tert-butyl N-[[2-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]-N-(2-methoxyethyl)carbamate;tert-butyl N-[[2-[7-[4-(2,4-dioxo-5-phenylpentyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]-N-(2-methoxyethyl)carbamate;tert-butyl N-[[2-[7-[2-fluoro-4-(4-oxo-5-phenyl-2-sulfanylidenepentyl)phenoxy]thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]-N-(2-methoxyethyl)carbamate;S-cyano 2-phenylethanethioate;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-phenylpentane-2,4-dione;5-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-4-sulfanylidenepentan-2-one;methane;3-oxo-4-phenylbutanoic acid?

tert-butyl N-[[2-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]-N-(2-methoxyethyl)carbamate;tert-butyl N-[[2-[7-[4-(2,4-dioxo-5-phenylpentyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]-N-(2-methoxyethyl)carbamate;tert-butyl N-[[2-[7-[2-fluoro-4-(4-oxo-5-phenyl-2-sulfanylidenepentyl)phenoxy]thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]-N-(2-methoxyethyl)carbamate;S-cyano 2-phenylethanethioate;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-phenylpentane-2,4-dione;5-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-4-sulfanylidenepentan-2-one;methane;3-oxo-4-phenylbutanoic acid has a molecular weight of 3542.38 g/mol, XLogP of 39.62, 70 rotatable bonds, 4 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[[2-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]-N-(2-methoxyethyl)carbamate;tert-butyl N-[[2-[7-[4-(2,4-dioxo-5-phenylpentyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]-N-(2-methoxyethyl)carbamate;tert-butyl N-[[2-[7-[2-fluoro-4-(4-oxo-5-phenyl-2-sulfanylidenepentyl)phenoxy]thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]-N-(2-methoxyethyl)carbamate;S-cyano 2-phenylethanethioate;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-phenylpentane-2,4-dione;5-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-4-sulfanylidenepentan-2-one;methane;3-oxo-4-phenylbutanoic acid is sourced from PubChem (CID 157476045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).