4-[[(E)-[3,5-bis(trifluoromethyl)phenyl]methylideneamino]carbamoyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[2-[(3-carboxyphenyl)methylideneamino]acetyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[2-[(3,4-difluorophenyl)methylideneamino]acetyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[2-[(2,4-dimethoxypyrimidin-5-yl)methylideneamino]acetyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[[(E)-(5,7-dimethyl-4-oxochromen-3-yl)methylideneamino]carbamoyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-4-[2-[(2-morpholin-4-ylphenyl)methylideneamino]acetyl]benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-4-[[(E)-(4-pyrimidin-5-ylphenyl)methylideneamino]carbamoyl]benzoic acid

C167H148F8N22O28 — CID 172948718

About 4-[[(E)-[3,5-bis(trifluoromethyl)phenyl]methylideneamino]carbamoyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[2-[(3-carboxyphenyl)methylideneamino]acetyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[2-[(3,4-difluorophenyl)methylideneamino]acetyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[2-[(2,4-dimethoxypyrimidin-5-yl)methylideneamino]acetyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[[(E)-(5,7-dimethyl-4-oxochromen-3-yl)methylideneamino]carbamoyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-4-[2-[(2-morpholin-4-ylphenyl)methylideneamino]acetyl]benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-4-[[(E)-(4-pyrimidin-5-ylphenyl)methylideneamino]carbamoyl]benzoic acid

4-[[(E)-[3,5-bis(trifluoromethyl)phenyl]methylideneamino]carbamoyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[2-[(3-carboxyphenyl)methylideneamino]acetyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[2-[(3,4-difluorophenyl)methylideneamino]acetyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[2-[(2,4-dimethoxypyrimidin-5-yl)methylideneamino]acetyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[[(E)-(5,7-dimethyl-4-oxochromen-3-yl)methylideneamino]carbamoyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-4-[2-[(2-morpholin-4-ylphenyl)methylideneamino]acetyl]benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-4-[[(E)-(4-pyrimidin-5-ylphenyl)methylideneamino]carbamoyl]benzoic acid (PubChem CID 172948718) has the molecular formula C167H148F8N22O28 and a molecular weight of 3063.13 g/mol. Its IUPAC name is 4-[[(E)-[3,5-bis(trifluoromethyl)phenyl]methylideneamino]carbamoyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[2-[(3-carboxyphenyl)methylideneamino]acetyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[2-[(3,4-difluorophenyl)methylideneamino]acetyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[2-[(2,4-dimethoxypyrimidin-5-yl)methylideneamino]acetyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[[(E)-(5,7-dimethyl-4-oxochromen-3-yl)methylideneamino]carbamoyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-4-[2-[(2-morpholin-4-ylphenyl)methylideneamino]acetyl]benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-4-[[(E)-(4-pyrimidin-5-ylphenyl)methylideneamino]carbamoyl]benzoic acid.

Molecular Properties

• Compound Name: 4-[[(E)-[3,5-bis(trifluoromethyl)phenyl]methylideneamino]carbamoyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[2-[(3-carboxyphenyl)methylideneamino]acetyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[2-[(3,4-difluorophenyl)methylideneamino]acetyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[2-[(2,4-dimethoxypyrimidin-5-yl)methylideneamino]acetyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[[(E)-(5,7-dimethyl-4-oxochromen-3-yl)methylideneamino]carbamoyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-4-[2-[(2-morpholin-4-ylphenyl)methylideneamino]acetyl]benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-4-[[(E)-(4-pyrimidin-5-ylphenyl)methylideneamino]carbamoyl]benzoic acid
• PubChem CID: 172948718
• Molecular Formula: C167H148F8N22O28
• Molecular Weight: 3063.13 g/mol
• Exact Mass: 3061.07
• IUPAC Name: 4-[[(E)-[3,5-bis(trifluoromethyl)phenyl]methylideneamino]carbamoyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[2-[(3-carboxyphenyl)methylideneamino]acetyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[2-[(3,4-difluorophenyl)methylideneamino]acetyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[2-[(2,4-dimethoxypyrimidin-5-yl)methylideneamino]acetyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[[(E)-(5,7-dimethyl-4-oxochromen-3-yl)methylideneamino]carbamoyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-4-[2-[(2-morpholin-4-ylphenyl)methylideneamino]acetyl]benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-4-[[(E)-(4-pyrimidin-5-ylphenyl)methylideneamino]carbamoyl]benzoic acid
• SMILES: COc1ncc(/C=N/CC(=O)c2ccc(C(=O)O)c(-n3c(C)ccc3C)c2)c(OC)n1.Cc1cc(C)c2c(=O)c(/C=N/NC(=O)c3ccc(C(=O)O)c(-n4c(C)ccc4C)c3)coc2c1.Cc1ccc(C)n1-c1cc(C(=O)C/N=C/c2ccc(F)c(F)c2)ccc1C(=O)O.Cc1ccc(C)n1-c1cc(C(=O)C/N=C/c2cccc(C(=O)O)c2)ccc1C(=O)O.Cc1ccc(C)n1-c1cc(C(=O)C/N=C/c2ccccc2N2CCOCC2)ccc1C(=O)O.Cc1ccc(C)n1-c1cc(C(=O)N/N=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1C(=O)O.Cc1ccc(C)n1-c1cc(C(=O)N/N=C/c2ccc(-c3cncnc3)cc2)ccc1C(=O)O
• InChI: InChI=1S/C26H23N3O5.C26H27N3O4.C25H21N5O3.C23H17F6N3O3.C23H20N2O5.C22H18F2N2O3.C22H22N4O5/c1-14-9-15(2)23-22(10-14)34-13-19(24(23)30)12-27-28-25(31)18-7-8-20(26(32)33)21(11-18)29-16(3)5-6-17(29)4;1-18-7-8-19(2)29(18)24-15-20(9-10-22(24)26(31)32)25(30)17-27-16-21-5-3-4-6-23(21)28-11-13-33-14-12-28;1-16-3-4-17(2)30(16)23-11-20(9-10-22(23)25(32)33)24(31)29-28-12-18-5-7-19(8-6-18)21-13-26-15-27-14-21;1-12-3-4-13(2)32(12)19-9-15(5-6-18(19)21(34)35)20(33)31-30-11-14-7-16(22(24,25)26)10-17(8-14)23(27,28)29;1-14-6-7-15(2)25(14)20-11-17(8-9-19(20)23(29)30)21(26)13-24-12-16-4-3-5-18(10-16)22(27)28;1-13-3-4-14(2)26(13)20-10-16(6-7-17(20)22(28)29)21(27)12-25-11-15-5-8-18(23)19(24)9-15;1-13-5-6-14(2)26(13)18-9-15(7-8-17(18)21(28)29)19(27)12-23-10-16-11-24-22(31-4)25-20(16)30-3/h5-13H,1-4H3,(H,28,31)(H,32,33);3-10,15-16H,11-14,17H2,1-2H3,(H,31,32);3-15H,1-2H3,(H,29,31)(H,32,33);3-11H,1-2H3,(H,31,33)(H,34,35);3-12H,13H2,1-2H3,(H,27,28)(H,29,30);3-11H,12H2,1-2H3,(H,28,29);5-11H,12H2,1-4H3,(H,28,29)/b27-12+;27-16+;28-12+;30-11+;24-12+;25-11+;23-10+
• InChIKey: XGMFBLATNWJALA-XUBVIKDWSA-N
• XLogP: 28.88
• TPSA: 687.71 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 39
• Rotatable Bonds: 44
• Heavy Atoms: 225
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3063.13
LogP ≤ 5	28.88
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[(E)-[3,5-bis(trifluoromethyl)phenyl]methylideneamino]carbamoyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[2-[(3-carboxyphenyl)methylideneamino]acetyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[2-[(3,4-difluorophenyl)methylideneamino]acetyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[2-[(2,4-dimethoxypyrimidin-5-yl)methylideneamino]acetyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[[(E)-(5,7-dimethyl-4-oxochromen-3-yl)methylideneamino]carbamoyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-4-[2-[(2-morpholin-4-ylphenyl)methylideneamino]acetyl]benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-4-[[(E)-(4-pyrimidin-5-ylphenyl)methylideneamino]carbamoyl]benzoic acid?

The IUPAC name of 4-[[(E)-[3,5-bis(trifluoromethyl)phenyl]methylideneamino]carbamoyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[2-[(3-carboxyphenyl)methylideneamino]acetyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[2-[(3,4-difluorophenyl)methylideneamino]acetyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[2-[(2,4-dimethoxypyrimidin-5-yl)methylideneamino]acetyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[[(E)-(5,7-dimethyl-4-oxochromen-3-yl)methylideneamino]carbamoyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-4-[2-[(2-morpholin-4-ylphenyl)methylideneamino]acetyl]benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-4-[[(E)-(4-pyrimidin-5-ylphenyl)methylideneamino]carbamoyl]benzoic acid (CID 172948718) is 4-[[(E)-[3,5-bis(trifluoromethyl)phenyl]methylideneamino]carbamoyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[2-[(3-carboxyphenyl)methylideneamino]acetyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[2-[(3,4-difluorophenyl)methylideneamino]acetyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[2-[(2,4-dimethoxypyrimidin-5-yl)methylideneamino]acetyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[[(E)-(5,7-dimethyl-4-oxochromen-3-yl)methylideneamino]carbamoyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-4-[2-[(2-morpholin-4-ylphenyl)methylideneamino]acetyl]benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-4-[[(E)-(4-pyrimidin-5-ylphenyl)methylideneamino]carbamoyl]benzoic acid.

What is the SMILES notation for 4-[[(E)-[3,5-bis(trifluoromethyl)phenyl]methylideneamino]carbamoyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[2-[(3-carboxyphenyl)methylideneamino]acetyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[2-[(3,4-difluorophenyl)methylideneamino]acetyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[2-[(2,4-dimethoxypyrimidin-5-yl)methylideneamino]acetyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[[(E)-(5,7-dimethyl-4-oxochromen-3-yl)methylideneamino]carbamoyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-4-[2-[(2-morpholin-4-ylphenyl)methylideneamino]acetyl]benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-4-[[(E)-(4-pyrimidin-5-ylphenyl)methylideneamino]carbamoyl]benzoic acid?

The canonical SMILES for 4-[[(E)-[3,5-bis(trifluoromethyl)phenyl]methylideneamino]carbamoyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[2-[(3-carboxyphenyl)methylideneamino]acetyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[2-[(3,4-difluorophenyl)methylideneamino]acetyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[2-[(2,4-dimethoxypyrimidin-5-yl)methylideneamino]acetyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[[(E)-(5,7-dimethyl-4-oxochromen-3-yl)methylideneamino]carbamoyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-4-[2-[(2-morpholin-4-ylphenyl)methylideneamino]acetyl]benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-4-[[(E)-(4-pyrimidin-5-ylphenyl)methylideneamino]carbamoyl]benzoic acid is COc1ncc(/C=N/CC(=O)c2ccc(C(=O)O)c(-n3c(C)ccc3C)c2)c(OC)n1.Cc1cc(C)c2c(=O)c(/C=N/NC(=O)c3ccc(C(=O)O)c(-n4c(C)ccc4C)c3)coc2c1.Cc1ccc(C)n1-c1cc(C(=O)C/N=C/c2ccc(F)c(F)c2)ccc1C(=O)O.Cc1ccc(C)n1-c1cc(C(=O)C/N=C/c2cccc(C(=O)O)c2)ccc1C(=O)O.Cc1ccc(C)n1-c1cc(C(=O)C/N=C/c2ccccc2N2CCOCC2)ccc1C(=O)O.Cc1ccc(C)n1-c1cc(C(=O)N/N=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1C(=O)O.Cc1ccc(C)n1-c1cc(C(=O)N/N=C/c2ccc(-c3cncnc3)cc2)ccc1C(=O)O.

What is the InChIKey of 4-[[(E)-[3,5-bis(trifluoromethyl)phenyl]methylideneamino]carbamoyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[2-[(3-carboxyphenyl)methylideneamino]acetyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[2-[(3,4-difluorophenyl)methylideneamino]acetyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[2-[(2,4-dimethoxypyrimidin-5-yl)methylideneamino]acetyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[[(E)-(5,7-dimethyl-4-oxochromen-3-yl)methylideneamino]carbamoyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-4-[2-[(2-morpholin-4-ylphenyl)methylideneamino]acetyl]benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-4-[[(E)-(4-pyrimidin-5-ylphenyl)methylideneamino]carbamoyl]benzoic acid?

The InChIKey is XGMFBLATNWJALA-XUBVIKDWSA-N. The full InChI is InChI=1S/C26H23N3O5.C26H27N3O4.C25H21N5O3.C23H17F6N3O3.C23H20N2O5.C22H18F2N2O3.C22H22N4O5/c1-14-9-15(2)23-22(10-14)34-13-19(24(23)30)12-27-28-25(31)18-7-8-20(26(32)33)21(11-18)29-16(3)5-6-17(29)4;1-18-7-8-19(2)29(18)24-15-20(9-10-22(24)26(31)32)25(30)17-27-16-21-5-3-4-6-23(21)28-11-13-33-14-12-28;1-16-3-4-17(2)30(16)23-11-20(9-10-22(23)25(32)33)24(31)29-28-12-18-5-7-19(8-6-18)21-13-26-15-27-14-21;1-12-3-4-13(2)32(12)19-9-15(5-6-18(19)21(34)35)20(33)31-30-11-14-7-16(22(24,25)26)10-17(8-14)23(27,28)29;1-14-6-7-15(2)25(14)20-11-17(8-9-19(20)23(29)30)21(26)13-24-12-16-4-3-5-18(10-16)22(27)28;1-13-3-4-14(2)26(13)20-10-16(6-7-17(20)22(28)29)21(27)12-25-11-15-5-8-18(23)19(24)9-15;1-13-5-6-14(2)26(13)18-9-15(7-8-17(18)21(28)29)19(27)12-23-10-16-11-24-22(31-4)25-20(16)30-3/h5-13H,1-4H3,(H,28,31)(H,32,33);3-10,15-16H,11-14,17H2,1-2H3,(H,31,32);3-15H,1-2H3,(H,29,31)(H,32,33);3-11H,1-2H3,(H,31,33)(H,34,35);3-12H,13H2,1-2H3,(H,27,28)(H,29,30);3-11H,12H2,1-2H3,(H,28,29);5-11H,12H2,1-4H3,(H,28,29)/b27-12+;27-16+;28-12+;30-11+;24-12+;25-11+;23-10+.

What are the key properties of 4-[[(E)-[3,5-bis(trifluoromethyl)phenyl]methylideneamino]carbamoyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[2-[(3-carboxyphenyl)methylideneamino]acetyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[2-[(3,4-difluorophenyl)methylideneamino]acetyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[2-[(2,4-dimethoxypyrimidin-5-yl)methylideneamino]acetyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[[(E)-(5,7-dimethyl-4-oxochromen-3-yl)methylideneamino]carbamoyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-4-[2-[(2-morpholin-4-ylphenyl)methylideneamino]acetyl]benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-4-[[(E)-(4-pyrimidin-5-ylphenyl)methylideneamino]carbamoyl]benzoic acid?

4-[[(E)-[3,5-bis(trifluoromethyl)phenyl]methylideneamino]carbamoyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[2-[(3-carboxyphenyl)methylideneamino]acetyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[2-[(3,4-difluorophenyl)methylideneamino]acetyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[2-[(2,4-dimethoxypyrimidin-5-yl)methylideneamino]acetyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[[(E)-(5,7-dimethyl-4-oxochromen-3-yl)methylideneamino]carbamoyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-4-[2-[(2-morpholin-4-ylphenyl)methylideneamino]acetyl]benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-4-[[(E)-(4-pyrimidin-5-ylphenyl)methylideneamino]carbamoyl]benzoic acid has a molecular weight of 3063.13 g/mol, XLogP of 28.88, 44 rotatable bonds, 11 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[(E)-[3,5-bis(trifluoromethyl)phenyl]methylideneamino]carbamoyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[2-[(3-carboxyphenyl)methylideneamino]acetyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[2-[(3,4-difluorophenyl)methylideneamino]acetyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[2-[(2,4-dimethoxypyrimidin-5-yl)methylideneamino]acetyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;4-[[(E)-(5,7-dimethyl-4-oxochromen-3-yl)methylideneamino]carbamoyl]-2-(2,5-dimethylpyrrol-1-yl)benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-4-[2-[(2-morpholin-4-ylphenyl)methylideneamino]acetyl]benzoic acid;2-(2,5-dimethylpyrrol-1-yl)-4-[[(E)-(4-pyrimidin-5-ylphenyl)methylideneamino]carbamoyl]benzoic acid is sourced from PubChem (CID 172948718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).