3-[[3,4-dioxo-2-[[(2R)-1-phenylbutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;1-[3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzoyl]-4-(furan-2-carbonyl)piperazine-2-carboxylic acid;3-[[3,4-dioxo-2-[1-[4-(trifluoromethyl)phenyl]propylamino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[2-hydroxy-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-methylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione

C211H212F6N32O43S — CID 159099173

IUPAC3-[[3,4-dioxo-2-[[(2R)-1-phenylbutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;1-[3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzoyl]-4-(furan-2-carbonyl)piperazine-2-carboxylic acid;3-[[3,4-dioxo-2-[1-[4-(trifluoromethyl)phenyl]propylamino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[2-hydroxy-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-methylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione
SMILESCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccco1.CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C(F)(F)F)cc1.CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccco1.CC[C@@H](Nc1c(Nc2cccc(C(=O)N3CCN(C(=O)c4ccco4)CC3C(=O)O)c2O)c(=O)c1=O)c1ccccc1.CC[C@@H](Nc1c(Nc2cccc(C(=O)N3CCN(C)CC3)c2O)c(=O)c1=O)c1ccccc1.CC[C@@H](Nc1c(Nc2cccc(C(=O)N3CCN(c4ncccn4)CC3)c2O)c(=O)c1=O)c1ccccc1.CC[C@@H](Nc1c(Nc2cccc(C(=O)N3CC[C@H](O)C3)c2O)c(=O)c1=O)c1ccccc1.CC[C@H](Cc1ccccc1)Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O.CN(C)C(=O)c1cccc(Nc2c(NC(c3cccs3)C(F)(F)F)c(=O)c2=O)c1O
InChIInChI=1S/C30H28N4O8.C28H28N6O4.C25H28N4O4.C24H25N3O5.C23H22F3N3O4.C23H25N3O4.C20H21N3O5.C19H16F3N3O4S.C19H19N3O5/c1-2-19(17-8-4-3-5-9-17)31-23-24(27(37)26(23)36)32-20-11-6-10-18(25(20)35)28(38)34-14-13-33(16-21(34)30(40)41)29(39)22-12-7-15-42-22;1-2-20(18-8-4-3-5-9-18)31-22-23(26(37)25(22)36)32-21-11-6-10-19(24(21)35)27(38)33-14-16-34(17-15-33)28-29-12-7-13-30-28;1-3-18(16-8-5-4-6-9-16)26-20-21(24(32)23(20)31)27-19-11-7-10-17(22(19)30)25(33)29-14-12-28(2)13-15-29;1-2-17(14-7-4-3-5-8-14)25-19-20(23(31)22(19)30)26-18-10-6-9-16(21(18)29)24(32)27-12-11-15(28)13-27;1-4-15(12-8-10-13(11-9-12)23(24,25)26)27-17-18(21(32)20(17)31)28-16-7-5-6-14(19(16)30)22(33)29(2)3;1-4-15(13-14-9-6-5-7-10-14)24-18-19(22(29)21(18)28)25-17-12-8-11-16(20(17)27)23(30)26(2)3;1-4-12(14-9-6-10-28-14)21-15-16(19(26)18(15)25)22-13-8-5-7-11(17(13)24)20(27)23(2)3;1-25(2)18(29)9-5-3-6-10(14(9)26)23-12-13(16(28)15(12)27)24-17(19(20,21)22)11-7-4-8-30-11;1-10(13-8-5-9-27-13)20-14-15(18(25)17(14)24)21-12-7-4-6-11(16(12)23)19(26)22(2)3/h3-12,15,19,21,31-32,35H,2,13-14,16H2,1H3,(H,40,41);3-13,20,31-32,35H,2,14-17H2,1H3;4-11,18,26-27,30H,3,12-15H2,1-2H3;3-10,15,17,25-26,28-29H,2,11-13H2,1H3;5-11,15,27-28,30H,4H2,1-3H3;5-12,15,24-25,27H,4,13H2,1-3H3;5-10,12,21-22,24H,4H2,1-3H3;3-8,17,23-24,26H,1-2H3;4-10,20-21,23H,1-3H3/t19-,21?;20-;18-;15-,17+;;15-;;;/m1110.1.../s1
InChIKeyKDBFLNGGHPHTEU-MUELXGFRSA-N
MW4030.25 g/mol
LogP26.05
Rot. Bonds65

About 3-[[3,4-dioxo-2-[[(2R)-1-phenylbutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;1-[3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzoyl]-4-(furan-2-carbonyl)piperazine-2-carboxylic acid;3-[[3,4-dioxo-2-[1-[4-(trifluoromethyl)phenyl]propylamino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[2-hydroxy-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-methylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione

3-[[3,4-dioxo-2-[[(2R)-1-phenylbutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;1-[3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzoyl]-4-(furan-2-carbonyl)piperazine-2-carboxylic acid;3-[[3,4-dioxo-2-[1-[4-(trifluoromethyl)phenyl]propylamino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[2-hydroxy-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-methylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione (PubChem CID 159099173) has the molecular formula C211H212F6N32O43S and a molecular weight of 4030.25 g/mol. Its IUPAC name is 3-[[3,4-dioxo-2-[[(2R)-1-phenylbutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;1-[3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzoyl]-4-(furan-2-carbonyl)piperazine-2-carboxylic acid;3-[[3,4-dioxo-2-[1-[4-(trifluoromethyl)phenyl]propylamino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[2-hydroxy-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-methylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione.

Molecular Properties

Compound Name3-[[3,4-dioxo-2-[[(2R)-1-phenylbutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;1-[3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzoyl]-4-(furan-2-carbonyl)piperazine-2-carboxylic acid;3-[[3,4-dioxo-2-[1-[4-(trifluoromethyl)phenyl]propylamino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[2-hydroxy-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-methylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione
PubChem CID159099173
Molecular FormulaC211H212F6N32O43S
Molecular Weight4030.25 g/mol
Exact Mass4027.50
IUPAC Name3-[[3,4-dioxo-2-[[(2R)-1-phenylbutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;1-[3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzoyl]-4-(furan-2-carbonyl)piperazine-2-carboxylic acid;3-[[3,4-dioxo-2-[1-[4-(trifluoromethyl)phenyl]propylamino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[2-hydroxy-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-methylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione
SMILESCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccco1.CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C(F)(F)F)cc1.CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccco1.CC[C@@H](Nc1c(Nc2cccc(C(=O)N3CCN(C(=O)c4ccco4)CC3C(=O)O)c2O)c(=O)c1=O)c1ccccc1.CC[C@@H](Nc1c(Nc2cccc(C(=O)N3CCN(C)CC3)c2O)c(=O)c1=O)c1ccccc1.CC[C@@H](Nc1c(Nc2cccc(C(=O)N3CCN(c4ncccn4)CC3)c2O)c(=O)c1=O)c1ccccc1.CC[C@@H](Nc1c(Nc2cccc(C(=O)N3CC[C@H](O)C3)c2O)c(=O)c1=O)c1ccccc1.CC[C@H](Cc1ccccc1)Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O.CN(C)C(=O)c1cccc(Nc2c(NC(c3cccs3)C(F)(F)F)c(=O)c2=O)c1O
InChIInChI=1S/C30H28N4O8.C28H28N6O4.C25H28N4O4.C24H25N3O5.C23H22F3N3O4.C23H25N3O4.C20H21N3O5.C19H16F3N3O4S.C19H19N3O5/c1-2-19(17-8-4-3-5-9-17)31-23-24(27(37)26(23)36)32-20-11-6-10-18(25(20)35)28(38)34-14-13-33(16-21(34)30(40)41)29(39)22-12-7-15-42-22;1-2-20(18-8-4-3-5-9-18)31-22-23(26(37)25(22)36)32-21-11-6-10-19(24(21)35)27(38)33-14-16-34(17-15-33)28-29-12-7-13-30-28;1-3-18(16-8-5-4-6-9-16)26-20-21(24(32)23(20)31)27-19-11-7-10-17(22(19)30)25(33)29-14-12-28(2)13-15-29;1-2-17(14-7-4-3-5-8-14)25-19-20(23(31)22(19)30)26-18-10-6-9-16(21(18)29)24(32)27-12-11-15(28)13-27;1-4-15(12-8-10-13(11-9-12)23(24,25)26)27-17-18(21(32)20(17)31)28-16-7-5-6-14(19(16)30)22(33)29(2)3;1-4-15(13-14-9-6-5-7-10-14)24-18-19(22(29)21(18)28)25-17-12-8-11-16(20(17)27)23(30)26(2)3;1-4-12(14-9-6-10-28-14)21-15-16(19(26)18(15)25)22-13-8-5-7-11(17(13)24)20(27)23(2)3;1-25(2)18(29)9-5-3-6-10(14(9)26)23-12-13(16(28)15(12)27)24-17(19(20,21)22)11-7-4-8-30-11;1-10(13-8-5-9-27-13)20-14-15(18(25)17(14)24)21-12-7-4-6-11(16(12)23)19(26)22(2)3/h3-12,15,19,21,31-32,35H,2,13-14,16H2,1H3,(H,40,41);3-13,20,31-32,35H,2,14-17H2,1H3;4-11,18,26-27,30H,3,12-15H2,1-2H3;3-10,15,17,25-26,28-29H,2,11-13H2,1H3;5-11,15,27-28,30H,4H2,1-3H3;5-12,15,24-25,27H,4,13H2,1-3H3;5-10,12,21-22,24H,4H2,1-3H3;3-8,17,23-24,26H,1-2H3;4-10,20-21,23H,1-3H3/t19-,21?;20-;18-;15-,17+;;15-;;;/m1110.1.../s1
InChIKeyKDBFLNGGHPHTEU-MUELXGFRSA-N
XLogP26.05
TPSA1038.18 Ų
H-Bond Donors29
H-Bond Acceptors65
Rotatable Bonds65
Heavy Atoms293
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004030.25
LogP ≤ 526.05
H-Bond Donors ≤ 529
H-Bond Acceptors ≤ 1065

Analyze 3-[[3,4-dioxo-2-[[(2R)-1-phenylbutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;1-[3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzoyl]-4-(furan-2-carbonyl)piperazine-2-carboxylic acid;3-[[3,4-dioxo-2-[1-[4-(trifluoromethyl)phenyl]propylamino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[2-hydroxy-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-methylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[3,4-dioxo-2-[[(2R)-1-phenylbutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;1-[3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzoyl]-4-(furan-2-carbonyl)piperazine-2-carboxylic acid;3-[[3,4-dioxo-2-[1-[4-(trifluoromethyl)phenyl]propylamino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[2-hydroxy-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-methylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione?
The IUPAC name of 3-[[3,4-dioxo-2-[[(2R)-1-phenylbutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;1-[3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzoyl]-4-(furan-2-carbonyl)piperazine-2-carboxylic acid;3-[[3,4-dioxo-2-[1-[4-(trifluoromethyl)phenyl]propylamino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[2-hydroxy-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-methylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione (CID 159099173) is 3-[[3,4-dioxo-2-[[(2R)-1-phenylbutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;1-[3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzoyl]-4-(furan-2-carbonyl)piperazine-2-carboxylic acid;3-[[3,4-dioxo-2-[1-[4-(trifluoromethyl)phenyl]propylamino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[2-hydroxy-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-methylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione.
What is the SMILES notation for 3-[[3,4-dioxo-2-[[(2R)-1-phenylbutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;1-[3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzoyl]-4-(furan-2-carbonyl)piperazine-2-carboxylic acid;3-[[3,4-dioxo-2-[1-[4-(trifluoromethyl)phenyl]propylamino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[2-hydroxy-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-methylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione?
The canonical SMILES for 3-[[3,4-dioxo-2-[[(2R)-1-phenylbutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;1-[3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzoyl]-4-(furan-2-carbonyl)piperazine-2-carboxylic acid;3-[[3,4-dioxo-2-[1-[4-(trifluoromethyl)phenyl]propylamino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[2-hydroxy-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-methylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione is CC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccco1.CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C(F)(F)F)cc1.CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccco1.CC[C@@H](Nc1c(Nc2cccc(C(=O)N3CCN(C(=O)c4ccco4)CC3C(=O)O)c2O)c(=O)c1=O)c1ccccc1.CC[C@@H](Nc1c(Nc2cccc(C(=O)N3CCN(C)CC3)c2O)c(=O)c1=O)c1ccccc1.CC[C@@H](Nc1c(Nc2cccc(C(=O)N3CCN(c4ncccn4)CC3)c2O)c(=O)c1=O)c1ccccc1.CC[C@@H](Nc1c(Nc2cccc(C(=O)N3CC[C@H](O)C3)c2O)c(=O)c1=O)c1ccccc1.CC[C@H](Cc1ccccc1)Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O.CN(C)C(=O)c1cccc(Nc2c(NC(c3cccs3)C(F)(F)F)c(=O)c2=O)c1O.
What is the InChIKey of 3-[[3,4-dioxo-2-[[(2R)-1-phenylbutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;1-[3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzoyl]-4-(furan-2-carbonyl)piperazine-2-carboxylic acid;3-[[3,4-dioxo-2-[1-[4-(trifluoromethyl)phenyl]propylamino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[2-hydroxy-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-methylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione?
The InChIKey is KDBFLNGGHPHTEU-MUELXGFRSA-N. The full InChI is InChI=1S/C30H28N4O8.C28H28N6O4.C25H28N4O4.C24H25N3O5.C23H22F3N3O4.C23H25N3O4.C20H21N3O5.C19H16F3N3O4S.C19H19N3O5/c1-2-19(17-8-4-3-5-9-17)31-23-24(27(37)26(23)36)32-20-11-6-10-18(25(20)35)28(38)34-14-13-33(16-21(34)30(40)41)29(39)22-12-7-15-42-22;1-2-20(18-8-4-3-5-9-18)31-22-23(26(37)25(22)36)32-21-11-6-10-19(24(21)35)27(38)33-14-16-34(17-15-33)28-29-12-7-13-30-28;1-3-18(16-8-5-4-6-9-16)26-20-21(24(32)23(20)31)27-19-11-7-10-17(22(19)30)25(33)29-14-12-28(2)13-15-29;1-2-17(14-7-4-3-5-8-14)25-19-20(23(31)22(19)30)26-18-10-6-9-16(21(18)29)24(32)27-12-11-15(28)13-27;1-4-15(12-8-10-13(11-9-12)23(24,25)26)27-17-18(21(32)20(17)31)28-16-7-5-6-14(19(16)30)22(33)29(2)3;1-4-15(13-14-9-6-5-7-10-14)24-18-19(22(29)21(18)28)25-17-12-8-11-16(20(17)27)23(30)26(2)3;1-4-12(14-9-6-10-28-14)21-15-16(19(26)18(15)25)22-13-8-5-7-11(17(13)24)20(27)23(2)3;1-25(2)18(29)9-5-3-6-10(14(9)26)23-12-13(16(28)15(12)27)24-17(19(20,21)22)11-7-4-8-30-11;1-10(13-8-5-9-27-13)20-14-15(18(25)17(14)24)21-12-7-4-6-11(16(12)23)19(26)22(2)3/h3-12,15,19,21,31-32,35H,2,13-14,16H2,1H3,(H,40,41);3-13,20,31-32,35H,2,14-17H2,1H3;4-11,18,26-27,30H,3,12-15H2,1-2H3;3-10,15,17,25-26,28-29H,2,11-13H2,1H3;5-11,15,27-28,30H,4H2,1-3H3;5-12,15,24-25,27H,4,13H2,1-3H3;5-10,12,21-22,24H,4H2,1-3H3;3-8,17,23-24,26H,1-2H3;4-10,20-21,23H,1-3H3/t19-,21?;20-;18-;15-,17+;;15-;;;/m1110.1.../s1.
What are the key properties of 3-[[3,4-dioxo-2-[[(2R)-1-phenylbutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;1-[3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzoyl]-4-(furan-2-carbonyl)piperazine-2-carboxylic acid;3-[[3,4-dioxo-2-[1-[4-(trifluoromethyl)phenyl]propylamino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[2-hydroxy-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-methylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione?
3-[[3,4-dioxo-2-[[(2R)-1-phenylbutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;1-[3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzoyl]-4-(furan-2-carbonyl)piperazine-2-carboxylic acid;3-[[3,4-dioxo-2-[1-[4-(trifluoromethyl)phenyl]propylamino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[2-hydroxy-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-methylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione has a molecular weight of 4030.25 g/mol, XLogP of 26.05, 65 rotatable bonds, 29 hydrogen bond donors, and 65 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,4-dioxo-2-[[(2R)-1-phenylbutan-2-yl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;1-[3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxybenzoyl]-4-(furan-2-carbonyl)piperazine-2-carboxylic acid;3-[[3,4-dioxo-2-[1-[4-(trifluoromethyl)phenyl]propylamino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[1-(furan-2-yl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[2-hydroxy-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-methylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)anilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione is sourced from PubChem (CID 159099173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).