3-[[2-[[(1R)-1-(1,3-benzodioxol-5-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-(tert-butylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-(1-thiophen-2-ylbutylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[furan-2-yl(phenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(1R)-1-(furan-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;4-[2-hydroxy-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzoyl]-N,N-dimethylpiperazine-1-carboxamide;3-[2-hydroxy-3-[4-(1-oxidopyridin-1-ium-2-yl)piperazine-1-carbonyl]anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-pyridin-4-ylpiperazine-1-carbonyl)anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione

C197H214F3N33O42S2 — CID 158048236

About 3-[[2-[[(1R)-1-(1,3-benzodioxol-5-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-(tert-butylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-(1-thiophen-2-ylbutylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[furan-2-yl(phenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(1R)-1-(furan-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;4-[2-hydroxy-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzoyl]-N,N-dimethylpiperazine-1-carboxamide;3-[2-hydroxy-3-[4-(1-oxidopyridin-1-ium-2-yl)piperazine-1-carbonyl]anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-pyridin-4-ylpiperazine-1-carbonyl)anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione

3-[[2-[[(1R)-1-(1,3-benzodioxol-5-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-(tert-butylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-(1-thiophen-2-ylbutylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[furan-2-yl(phenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(1R)-1-(furan-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;4-[2-hydroxy-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzoyl]-N,N-dimethylpiperazine-1-carboxamide;3-[2-hydroxy-3-[4-(1-oxidopyridin-1-ium-2-yl)piperazine-1-carbonyl]anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-pyridin-4-ylpiperazine-1-carbonyl)anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione (PubChem CID 158048236) has the molecular formula C197H214F3N33O42S2 and a molecular weight of 3837.20 g/mol. Its IUPAC name is 3-[[2-[[(1R)-1-(1,3-benzodioxol-5-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-(tert-butylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-(1-thiophen-2-ylbutylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[furan-2-yl(phenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(1R)-1-(furan-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;4-[2-hydroxy-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzoyl]-N,N-dimethylpiperazine-1-carboxamide;3-[2-hydroxy-3-[4-(1-oxidopyridin-1-ium-2-yl)piperazine-1-carbonyl]anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-pyridin-4-ylpiperazine-1-carbonyl)anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione.

Molecular Properties

• Compound Name: 3-[[2-[[(1R)-1-(1,3-benzodioxol-5-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-(tert-butylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-(1-thiophen-2-ylbutylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[furan-2-yl(phenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(1R)-1-(furan-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;4-[2-hydroxy-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzoyl]-N,N-dimethylpiperazine-1-carboxamide;3-[2-hydroxy-3-[4-(1-oxidopyridin-1-ium-2-yl)piperazine-1-carbonyl]anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-pyridin-4-ylpiperazine-1-carbonyl)anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione
• PubChem CID: 158048236
• Molecular Formula: C197H214F3N33O42S2
• Molecular Weight: 3837.20 g/mol
• Exact Mass: 3834.50
• IUPAC Name: 3-[[2-[[(1R)-1-(1,3-benzodioxol-5-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-(tert-butylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-(1-thiophen-2-ylbutylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[furan-2-yl(phenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(1R)-1-(furan-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;4-[2-hydroxy-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzoyl]-N,N-dimethylpiperazine-1-carboxamide;3-[2-hydroxy-3-[4-(1-oxidopyridin-1-ium-2-yl)piperazine-1-carbonyl]anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-pyridin-4-ylpiperazine-1-carbonyl)anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione
• SMILES: CC(C)[C@H](C)Nc1c(Nc2cccc(C(=O)N3CCN(C(=O)N(C)C)CC3)c2O)c(=O)c1=O.CC(C)[C@H](C)Nc1c(Nc2cccc(C(=O)N3CCN(c4cccc[n+]4[O-])CC3)c2O)c(=O)c1=O.CC(C)[C@H](C)Nc1c(Nc2cccc(C(=O)N3CCN(c4ccncc4)CC3)c2O)c(=O)c1=O.CCCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cccs1.CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc2c(c1)OCO2.CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccco1.CN(C)C(=O)c1cccc(Nc2c(NC(C)(C)C)c(=O)c2=O)c1O.CN(C)C(=O)c1cccc(Nc2c(NC(c3ccccc3)c3ccco3)c(=O)c2=O)c1O.CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3cccs3)C(F)(F)F)c(=O)c2=O)c1O
• InChI: InChI=1S/C25H29N5O5.C25H29N5O4.C24H21N3O5.C23H31N5O5.C23H23N3O6.C21H23N3O4S.C20H21N3O5.C19H16F3N3O4S.C17H21N3O4/c1-15(2)16(3)26-20-21(24(33)23(20)32)27-18-8-6-7-17(22(18)31)25(34)29-13-11-28(12-14-29)19-9-4-5-10-30(19)35;1-15(2)16(3)27-20-21(24(33)23(20)32)28-19-6-4-5-18(22(19)31)25(34)30-13-11-29(12-14-30)17-7-9-26-10-8-17;1-27(2)24(31)15-10-6-11-16(21(15)28)25-19-20(23(30)22(19)29)26-18(17-12-7-13-32-17)14-8-4-3-5-9-14;1-13(2)14(3)24-17-18(21(31)20(17)30)25-16-8-6-7-15(19(16)29)22(32)27-9-11-28(12-10-27)23(33)26(4)5;1-4-14(12-8-9-16-17(10-12)32-11-31-16)24-18-19(22(29)21(18)28)25-15-7-5-6-13(20(15)27)23(30)26(2)3;1-4-7-13(15-10-6-11-29-15)22-16-17(20(27)19(16)26)23-14-9-5-8-12(18(14)25)21(28)24(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;1-17(2,3)19-12-11(14(22)15(12)23)18-10-8-6-7-9(13(10)21)16(24)20(4)5/h4-10,15-16,26-27,31H,11-14H2,1-3H3;4-10,15-16,27-28,31H,11-14H2,1-3H3;3-13,18,25-26,28H,1-2H3;6-8,13-14,24-25,29H,9-12H2,1-5H3;5-10,14,24-25,27H,4,11H2,1-3H3;5-6,8-11,13,22-23,25H,4,7H2,1-3H3;5-10,12,21-22,24H,4H2,1-3H3;3-8,17,23-24,26H,1-2H3;6-8,18-19,21H,1-5H3/t2*16-;;2*14-;;12-;17-;/m00.01.10./s1
• InChIKey: FJEBPSXKPXRYRT-VCBONNMISA-N
• XLogP: 22.80
• TPSA: 1003.26 Ų
• H-Bond Donors: 27
• H-Bond Acceptors: 65
• Rotatable Bonds: 59
• Heavy Atoms: 277
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3837.20
LogP ≤ 5	22.80
H-Bond Donors ≤ 5	27
H-Bond Acceptors ≤ 10	65

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[[(1R)-1-(1,3-benzodioxol-5-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-(tert-butylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-(1-thiophen-2-ylbutylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[furan-2-yl(phenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(1R)-1-(furan-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;4-[2-hydroxy-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzoyl]-N,N-dimethylpiperazine-1-carboxamide;3-[2-hydroxy-3-[4-(1-oxidopyridin-1-ium-2-yl)piperazine-1-carbonyl]anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-pyridin-4-ylpiperazine-1-carbonyl)anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione?

The IUPAC name of 3-[[2-[[(1R)-1-(1,3-benzodioxol-5-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-(tert-butylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-(1-thiophen-2-ylbutylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[furan-2-yl(phenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(1R)-1-(furan-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;4-[2-hydroxy-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzoyl]-N,N-dimethylpiperazine-1-carboxamide;3-[2-hydroxy-3-[4-(1-oxidopyridin-1-ium-2-yl)piperazine-1-carbonyl]anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-pyridin-4-ylpiperazine-1-carbonyl)anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione (CID 158048236) is 3-[[2-[[(1R)-1-(1,3-benzodioxol-5-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-(tert-butylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-(1-thiophen-2-ylbutylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[furan-2-yl(phenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(1R)-1-(furan-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;4-[2-hydroxy-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzoyl]-N,N-dimethylpiperazine-1-carboxamide;3-[2-hydroxy-3-[4-(1-oxidopyridin-1-ium-2-yl)piperazine-1-carbonyl]anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-pyridin-4-ylpiperazine-1-carbonyl)anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione.

What is the SMILES notation for 3-[[2-[[(1R)-1-(1,3-benzodioxol-5-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-(tert-butylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-(1-thiophen-2-ylbutylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[furan-2-yl(phenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(1R)-1-(furan-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;4-[2-hydroxy-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzoyl]-N,N-dimethylpiperazine-1-carboxamide;3-[2-hydroxy-3-[4-(1-oxidopyridin-1-ium-2-yl)piperazine-1-carbonyl]anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-pyridin-4-ylpiperazine-1-carbonyl)anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione?

The canonical SMILES for 3-[[2-[[(1R)-1-(1,3-benzodioxol-5-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-(tert-butylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-(1-thiophen-2-ylbutylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[furan-2-yl(phenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(1R)-1-(furan-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;4-[2-hydroxy-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzoyl]-N,N-dimethylpiperazine-1-carboxamide;3-[2-hydroxy-3-[4-(1-oxidopyridin-1-ium-2-yl)piperazine-1-carbonyl]anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-pyridin-4-ylpiperazine-1-carbonyl)anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione is CC(C)[C@H](C)Nc1c(Nc2cccc(C(=O)N3CCN(C(=O)N(C)C)CC3)c2O)c(=O)c1=O.CC(C)[C@H](C)Nc1c(Nc2cccc(C(=O)N3CCN(c4cccc[n+]4[O-])CC3)c2O)c(=O)c1=O.CC(C)[C@H](C)Nc1c(Nc2cccc(C(=O)N3CCN(c4ccncc4)CC3)c2O)c(=O)c1=O.CCCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cccs1.CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc2c(c1)OCO2.CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccco1.CN(C)C(=O)c1cccc(Nc2c(NC(C)(C)C)c(=O)c2=O)c1O.CN(C)C(=O)c1cccc(Nc2c(NC(c3ccccc3)c3ccco3)c(=O)c2=O)c1O.CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3cccs3)C(F)(F)F)c(=O)c2=O)c1O.

What is the InChIKey of 3-[[2-[[(1R)-1-(1,3-benzodioxol-5-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-(tert-butylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-(1-thiophen-2-ylbutylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[furan-2-yl(phenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(1R)-1-(furan-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;4-[2-hydroxy-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzoyl]-N,N-dimethylpiperazine-1-carboxamide;3-[2-hydroxy-3-[4-(1-oxidopyridin-1-ium-2-yl)piperazine-1-carbonyl]anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-pyridin-4-ylpiperazine-1-carbonyl)anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione?

The InChIKey is FJEBPSXKPXRYRT-VCBONNMISA-N. The full InChI is InChI=1S/C25H29N5O5.C25H29N5O4.C24H21N3O5.C23H31N5O5.C23H23N3O6.C21H23N3O4S.C20H21N3O5.C19H16F3N3O4S.C17H21N3O4/c1-15(2)16(3)26-20-21(24(33)23(20)32)27-18-8-6-7-17(22(18)31)25(34)29-13-11-28(12-14-29)19-9-4-5-10-30(19)35;1-15(2)16(3)27-20-21(24(33)23(20)32)28-19-6-4-5-18(22(19)31)25(34)30-13-11-29(12-14-30)17-7-9-26-10-8-17;1-27(2)24(31)15-10-6-11-16(21(15)28)25-19-20(23(30)22(19)29)26-18(17-12-7-13-32-17)14-8-4-3-5-9-14;1-13(2)14(3)24-17-18(21(31)20(17)30)25-16-8-6-7-15(19(16)29)22(32)27-9-11-28(12-10-27)23(33)26(4)5;1-4-14(12-8-9-16-17(10-12)32-11-31-16)24-18-19(22(29)21(18)28)25-15-7-5-6-13(20(15)27)23(30)26(2)3;1-4-7-13(15-10-6-11-29-15)22-16-17(20(27)19(16)26)23-14-9-5-8-12(18(14)25)21(28)24(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;1-17(2,3)19-12-11(14(22)15(12)23)18-10-8-6-7-9(13(10)21)16(24)20(4)5/h4-10,15-16,26-27,31H,11-14H2,1-3H3;4-10,15-16,27-28,31H,11-14H2,1-3H3;3-13,18,25-26,28H,1-2H3;6-8,13-14,24-25,29H,9-12H2,1-5H3;5-10,14,24-25,27H,4,11H2,1-3H3;5-6,8-11,13,22-23,25H,4,7H2,1-3H3;5-10,12,21-22,24H,4H2,1-3H3;3-8,17,23-24,26H,1-2H3;6-8,18-19,21H,1-5H3/t2*16-;;2*14-;;12-;17-;/m00.01.10./s1.

What are the key properties of 3-[[2-[[(1R)-1-(1,3-benzodioxol-5-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-(tert-butylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-(1-thiophen-2-ylbutylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[furan-2-yl(phenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(1R)-1-(furan-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;4-[2-hydroxy-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzoyl]-N,N-dimethylpiperazine-1-carboxamide;3-[2-hydroxy-3-[4-(1-oxidopyridin-1-ium-2-yl)piperazine-1-carbonyl]anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-pyridin-4-ylpiperazine-1-carbonyl)anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione?

3-[[2-[[(1R)-1-(1,3-benzodioxol-5-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-(tert-butylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-(1-thiophen-2-ylbutylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[furan-2-yl(phenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(1R)-1-(furan-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;4-[2-hydroxy-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzoyl]-N,N-dimethylpiperazine-1-carboxamide;3-[2-hydroxy-3-[4-(1-oxidopyridin-1-ium-2-yl)piperazine-1-carbonyl]anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-pyridin-4-ylpiperazine-1-carbonyl)anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione has a molecular weight of 3837.20 g/mol, XLogP of 22.80, 59 rotatable bonds, 27 hydrogen bond donors, and 65 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-[[(1R)-1-(1,3-benzodioxol-5-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-(tert-butylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-(1-thiophen-2-ylbutylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[3,4-dioxo-2-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[furan-2-yl(phenyl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2-[[(1R)-1-(furan-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;4-[2-hydroxy-3-[[2-[[(2S)-3-methylbutan-2-yl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzoyl]-N,N-dimethylpiperazine-1-carboxamide;3-[2-hydroxy-3-[4-(1-oxidopyridin-1-ium-2-yl)piperazine-1-carbonyl]anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione;3-[2-hydroxy-3-(4-pyridin-4-ylpiperazine-1-carbonyl)anilino]-4-[[(2S)-3-methylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione is sourced from PubChem (CID 158048236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).