3-anilino-4-[2-hydroxy-3-(morpholine-4-carbonyl)anilino]cyclobut-3-ene-1,2-dione;3-anilino-4-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)anilino]cyclobut-3-ene-1,2-dione;3-[[2-[[(1S)-2,2-difluoro-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;4-[[2-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;3-[[2-[[(1R)-1-(4-ethylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-(3-fluoroanilino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(1S)-2-fluoro-1-(4-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-(3-methoxyanilino)-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide

C171H173F4N27O39S2 — CID 157062646

About 3-anilino-4-[2-hydroxy-3-(morpholine-4-carbonyl)anilino]cyclobut-3-ene-1,2-dione;3-anilino-4-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)anilino]cyclobut-3-ene-1,2-dione;3-[[2-[[(1S)-2,2-difluoro-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;4-[[2-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;3-[[2-[[(1R)-1-(4-ethylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-(3-fluoroanilino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(1S)-2-fluoro-1-(4-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-(3-methoxyanilino)-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide

3-anilino-4-[2-hydroxy-3-(morpholine-4-carbonyl)anilino]cyclobut-3-ene-1,2-dione;3-anilino-4-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)anilino]cyclobut-3-ene-1,2-dione;3-[[2-[[(1S)-2,2-difluoro-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;4-[[2-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;3-[[2-[[(1R)-1-(4-ethylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-(3-fluoroanilino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(1S)-2-fluoro-1-(4-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-(3-methoxyanilino)-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide (PubChem CID 157062646) has the molecular formula C171H173F4N27O39S2 and a molecular weight of 3370.54 g/mol. Its IUPAC name is 3-anilino-4-[2-hydroxy-3-(morpholine-4-carbonyl)anilino]cyclobut-3-ene-1,2-dione;3-anilino-4-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)anilino]cyclobut-3-ene-1,2-dione;3-[[2-[[(1S)-2,2-difluoro-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;4-[[2-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;3-[[2-[[(1R)-1-(4-ethylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-(3-fluoroanilino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(1S)-2-fluoro-1-(4-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-(3-methoxyanilino)-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide.

Molecular Properties

• Compound Name: 3-anilino-4-[2-hydroxy-3-(morpholine-4-carbonyl)anilino]cyclobut-3-ene-1,2-dione;3-anilino-4-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)anilino]cyclobut-3-ene-1,2-dione;3-[[2-[[(1S)-2,2-difluoro-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;4-[[2-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;3-[[2-[[(1R)-1-(4-ethylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-(3-fluoroanilino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(1S)-2-fluoro-1-(4-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-(3-methoxyanilino)-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide
• PubChem CID: 157062646
• Molecular Formula: C171H173F4N27O39S2
• Molecular Weight: 3370.54 g/mol
• Exact Mass: 3368.18
• IUPAC Name: 3-anilino-4-[2-hydroxy-3-(morpholine-4-carbonyl)anilino]cyclobut-3-ene-1,2-dione;3-anilino-4-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)anilino]cyclobut-3-ene-1,2-dione;3-[[2-[[(1S)-2,2-difluoro-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;4-[[2-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;3-[[2-[[(1R)-1-(4-ethylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-(3-fluoroanilino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(1S)-2-fluoro-1-(4-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-(3-methoxyanilino)-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide
• SMILES: CCN(CC)S(=O)(=O)c1scc(Nc2c(N[C@@H](c3ccc(C)o3)C(C)(C)C)c(=O)c2=O)c1O.CCc1coc([C@@H](CC)Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)c1.CN(C)C(=O)c1cccc(Nc2c(Nc3cccc(F)c3)c(=O)c2=O)c1O.COc1cccc(Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)c1.Cc1ccc([C@H](Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C(C)(F)F)o1.Cc1coc([C@H](Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C(C)F)c1.O=C(c1cccc(Nc2c(Nc3ccccc3)c(=O)c2=O)c1O)N1CCN(c2ncccn2)CC1.O=C(c1cccc(Nc2c(Nc3ccccc3)c(=O)c2=O)c1O)N1CCOCC1
• InChI: InChI=1S/C25H22N6O4.C22H29N3O6S2.C22H25N3O5.C21H21F2N3O5.C21H22FN3O5.C21H19N3O5.C20H19N3O5.C19H16FN3O4/c32-21-17(24(35)30-12-14-31(15-13-30)25-26-10-5-11-27-25)8-4-9-18(21)29-20-19(22(33)23(20)34)28-16-6-2-1-3-7-16;1-7-25(8-2)33(29,30)21-17(26)13(11-32-21)23-15-16(19(28)18(15)27)24-20(22(4,5)6)14-10-9-12(3)31-14;1-5-12-10-16(30-11-12)14(6-2)23-17-18(21(28)20(17)27)24-15-9-7-8-13(19(15)26)22(29)25(3)4;1-10-8-9-13(31-10)19(21(2,22)23)25-15-14(17(28)18(15)29)24-12-7-5-6-11(16(12)27)20(30)26(3)4;1-10-8-14(30-9-10)15(11(2)22)24-17-16(19(27)20(17)28)23-13-7-5-6-12(18(13)26)21(29)25(3)4;25-18-14(21(28)24-9-11-29-12-10-24)7-4-8-15(18)23-17-16(19(26)20(17)27)22-13-5-2-1-3-6-13;1-23(2)20(27)13-8-5-9-14(17(13)24)22-16-15(18(25)19(16)26)21-11-6-4-7-12(10-11)28-3;1-23(2)19(27)12-7-4-8-13(16(12)24)22-15-14(17(25)18(15)26)21-11-6-3-5-10(20)9-11/h1-11,28-29,32H,12-15H2;9-11,20,23-24,26H,7-8H2,1-6H3;7-11,14,23-24,26H,5-6H2,1-4H3;5-9,19,24-25,27H,1-4H3;5-9,11,15,23-24,26H,1-4H3;1-8,22-23,25H,9-12H2;4-10,21-22,24H,1-3H3;3-9,21-22,24H,1-2H3/t;20-;14-;19-;11?,15-;;;/m.0101.../s1
• InChIKey: ABMUNSXSEIUJJG-OXLNGSNGSA-N
• XLogP: 21.74
• TPSA: 907.03 Ų
• H-Bond Donors: 24
• H-Bond Acceptors: 59
• Rotatable Bonds: 53
• Heavy Atoms: 243
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3370.54
LogP ≤ 5	21.74
H-Bond Donors ≤ 5	24
H-Bond Acceptors ≤ 10	59

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-anilino-4-[2-hydroxy-3-(morpholine-4-carbonyl)anilino]cyclobut-3-ene-1,2-dione;3-anilino-4-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)anilino]cyclobut-3-ene-1,2-dione;3-[[2-[[(1S)-2,2-difluoro-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;4-[[2-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;3-[[2-[[(1R)-1-(4-ethylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-(3-fluoroanilino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(1S)-2-fluoro-1-(4-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-(3-methoxyanilino)-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide?

The IUPAC name of 3-anilino-4-[2-hydroxy-3-(morpholine-4-carbonyl)anilino]cyclobut-3-ene-1,2-dione;3-anilino-4-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)anilino]cyclobut-3-ene-1,2-dione;3-[[2-[[(1S)-2,2-difluoro-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;4-[[2-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;3-[[2-[[(1R)-1-(4-ethylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-(3-fluoroanilino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(1S)-2-fluoro-1-(4-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-(3-methoxyanilino)-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide (CID 157062646) is 3-anilino-4-[2-hydroxy-3-(morpholine-4-carbonyl)anilino]cyclobut-3-ene-1,2-dione;3-anilino-4-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)anilino]cyclobut-3-ene-1,2-dione;3-[[2-[[(1S)-2,2-difluoro-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;4-[[2-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;3-[[2-[[(1R)-1-(4-ethylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-(3-fluoroanilino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(1S)-2-fluoro-1-(4-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-(3-methoxyanilino)-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide.

What is the SMILES notation for 3-anilino-4-[2-hydroxy-3-(morpholine-4-carbonyl)anilino]cyclobut-3-ene-1,2-dione;3-anilino-4-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)anilino]cyclobut-3-ene-1,2-dione;3-[[2-[[(1S)-2,2-difluoro-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;4-[[2-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;3-[[2-[[(1R)-1-(4-ethylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-(3-fluoroanilino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(1S)-2-fluoro-1-(4-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-(3-methoxyanilino)-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide?

The canonical SMILES for 3-anilino-4-[2-hydroxy-3-(morpholine-4-carbonyl)anilino]cyclobut-3-ene-1,2-dione;3-anilino-4-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)anilino]cyclobut-3-ene-1,2-dione;3-[[2-[[(1S)-2,2-difluoro-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;4-[[2-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;3-[[2-[[(1R)-1-(4-ethylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-(3-fluoroanilino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(1S)-2-fluoro-1-(4-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-(3-methoxyanilino)-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide is CCN(CC)S(=O)(=O)c1scc(Nc2c(N[C@@H](c3ccc(C)o3)C(C)(C)C)c(=O)c2=O)c1O.CCc1coc([C@@H](CC)Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)c1.CN(C)C(=O)c1cccc(Nc2c(Nc3cccc(F)c3)c(=O)c2=O)c1O.COc1cccc(Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)c1.Cc1ccc([C@H](Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C(C)(F)F)o1.Cc1coc([C@H](Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C(C)F)c1.O=C(c1cccc(Nc2c(Nc3ccccc3)c(=O)c2=O)c1O)N1CCN(c2ncccn2)CC1.O=C(c1cccc(Nc2c(Nc3ccccc3)c(=O)c2=O)c1O)N1CCOCC1.

What is the InChIKey of 3-anilino-4-[2-hydroxy-3-(morpholine-4-carbonyl)anilino]cyclobut-3-ene-1,2-dione;3-anilino-4-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)anilino]cyclobut-3-ene-1,2-dione;3-[[2-[[(1S)-2,2-difluoro-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;4-[[2-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;3-[[2-[[(1R)-1-(4-ethylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-(3-fluoroanilino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(1S)-2-fluoro-1-(4-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-(3-methoxyanilino)-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide?

The InChIKey is ABMUNSXSEIUJJG-OXLNGSNGSA-N. The full InChI is InChI=1S/C25H22N6O4.C22H29N3O6S2.C22H25N3O5.C21H21F2N3O5.C21H22FN3O5.C21H19N3O5.C20H19N3O5.C19H16FN3O4/c32-21-17(24(35)30-12-14-31(15-13-30)25-26-10-5-11-27-25)8-4-9-18(21)29-20-19(22(33)23(20)34)28-16-6-2-1-3-7-16;1-7-25(8-2)33(29,30)21-17(26)13(11-32-21)23-15-16(19(28)18(15)27)24-20(22(4,5)6)14-10-9-12(3)31-14;1-5-12-10-16(30-11-12)14(6-2)23-17-18(21(28)20(17)27)24-15-9-7-8-13(19(15)26)22(29)25(3)4;1-10-8-9-13(31-10)19(21(2,22)23)25-15-14(17(28)18(15)29)24-12-7-5-6-11(16(12)27)20(30)26(3)4;1-10-8-14(30-9-10)15(11(2)22)24-17-16(19(27)20(17)28)23-13-7-5-6-12(18(13)26)21(29)25(3)4;25-18-14(21(28)24-9-11-29-12-10-24)7-4-8-15(18)23-17-16(19(26)20(17)27)22-13-5-2-1-3-6-13;1-23(2)20(27)13-8-5-9-14(17(13)24)22-16-15(18(25)19(16)26)21-11-6-4-7-12(10-11)28-3;1-23(2)19(27)12-7-4-8-13(16(12)24)22-15-14(17(25)18(15)26)21-11-6-3-5-10(20)9-11/h1-11,28-29,32H,12-15H2;9-11,20,23-24,26H,7-8H2,1-6H3;7-11,14,23-24,26H,5-6H2,1-4H3;5-9,19,24-25,27H,1-4H3;5-9,11,15,23-24,26H,1-4H3;1-8,22-23,25H,9-12H2;4-10,21-22,24H,1-3H3;3-9,21-22,24H,1-2H3/t;20-;14-;19-;11?,15-;;;/m.0101.../s1.

What are the key properties of 3-anilino-4-[2-hydroxy-3-(morpholine-4-carbonyl)anilino]cyclobut-3-ene-1,2-dione;3-anilino-4-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)anilino]cyclobut-3-ene-1,2-dione;3-[[2-[[(1S)-2,2-difluoro-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;4-[[2-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;3-[[2-[[(1R)-1-(4-ethylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-(3-fluoroanilino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(1S)-2-fluoro-1-(4-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-(3-methoxyanilino)-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide?

3-anilino-4-[2-hydroxy-3-(morpholine-4-carbonyl)anilino]cyclobut-3-ene-1,2-dione;3-anilino-4-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)anilino]cyclobut-3-ene-1,2-dione;3-[[2-[[(1S)-2,2-difluoro-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;4-[[2-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;3-[[2-[[(1R)-1-(4-ethylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-(3-fluoroanilino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(1S)-2-fluoro-1-(4-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-(3-methoxyanilino)-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide has a molecular weight of 3370.54 g/mol, XLogP of 21.74, 53 rotatable bonds, 24 hydrogen bond donors, and 59 hydrogen bond acceptors.

Where does this data come from?

All data for 3-anilino-4-[2-hydroxy-3-(morpholine-4-carbonyl)anilino]cyclobut-3-ene-1,2-dione;3-anilino-4-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)anilino]cyclobut-3-ene-1,2-dione;3-[[2-[[(1S)-2,2-difluoro-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;4-[[2-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;3-[[2-[[(1R)-1-(4-ethylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-(3-fluoroanilino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(1S)-2-fluoro-1-(4-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-3-[[2-(3-methoxyanilino)-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 157062646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).