2-[[4-[5-amino-4-[[1-[4-[3-[[4-[5-[[5-amino-3-methyl-1-[2-oxo-6-(2-sulfoethylamino)-1H-1,3,5-triazin-4-yl]pyrazol-4-yl]diazenyl]-4-isocyanopyrazol-1-yl]phenyl]sulfonylamino]propylamino]peroxysulfanylphenyl]-4-cyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-oxo-1H-1,3,5-triazin-2-yl]amino]ethanesulfonic acid;4-[5-[[5-amino-1-[2-(2-carboxyethylamino)-6-oxo-1H-1,3,5-triazin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-3-[3-[5-[[5-amino-1-[2-(2-carboxyethylamino)-6-oxo-1H-1,3,5-triazin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(4-carboxyphenyl)-4-isocyanopyrazol-3-yl]propyl]-4-cyanopyrazol-1-yl]benzoic acid;5-[[4-[5-amino-1-[4-hydroxy-6-(4-methylanilino)-1,3,5-triazin-2-yl]-4-[(4-isocyano-1-phenylpyrazol-5-yl)diazenyl]pyrazol-3-yl]phenyl]methylperoxy]pentyl 4-[5-amino-4-[(4-cyano-1-phenylpyrazol-5-yl)diazenyl]-1-[4-hydroxy-6-(4-methylanilino)-1,3,5-triazin-2-yl]pyrazol-3-yl]benzoate

C151H136N74O28S4 — CID 159341603

About 2-[[4-[5-amino-4-[[1-[4-[3-[[4-[5-[[5-amino-3-methyl-1-[2-oxo-6-(2-sulfoethylamino)-1H-1,3,5-triazin-4-yl]pyrazol-4-yl]diazenyl]-4-isocyanopyrazol-1-yl]phenyl]sulfonylamino]propylamino]peroxysulfanylphenyl]-4-cyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-oxo-1H-1,3,5-triazin-2-yl]amino]ethanesulfonic acid;4-[5-[[5-amino-1-[2-(2-carboxyethylamino)-6-oxo-1H-1,3,5-triazin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-3-[3-[5-[[5-amino-1-[2-(2-carboxyethylamino)-6-oxo-1H-1,3,5-triazin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(4-carboxyphenyl)-4-isocyanopyrazol-3-yl]propyl]-4-cyanopyrazol-1-yl]benzoic acid;5-[[4-[5-amino-1-[4-hydroxy-6-(4-methylanilino)-1,3,5-triazin-2-yl]-4-[(4-isocyano-1-phenylpyrazol-5-yl)diazenyl]pyrazol-3-yl]phenyl]methylperoxy]pentyl 4-[5-amino-4-[(4-cyano-1-phenylpyrazol-5-yl)diazenyl]-1-[4-hydroxy-6-(4-methylanilino)-1,3,5-triazin-2-yl]pyrazol-3-yl]benzoate

2-[[4-[5-amino-4-[[1-[4-[3-[[4-[5-[[5-amino-3-methyl-1-[2-oxo-6-(2-sulfoethylamino)-1H-1,3,5-triazin-4-yl]pyrazol-4-yl]diazenyl]-4-isocyanopyrazol-1-yl]phenyl]sulfonylamino]propylamino]peroxysulfanylphenyl]-4-cyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-oxo-1H-1,3,5-triazin-2-yl]amino]ethanesulfonic acid;4-[5-[[5-amino-1-[2-(2-carboxyethylamino)-6-oxo-1H-1,3,5-triazin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-3-[3-[5-[[5-amino-1-[2-(2-carboxyethylamino)-6-oxo-1H-1,3,5-triazin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(4-carboxyphenyl)-4-isocyanopyrazol-3-yl]propyl]-4-cyanopyrazol-1-yl]benzoic acid;5-[[4-[5-amino-1-[4-hydroxy-6-(4-methylanilino)-1,3,5-triazin-2-yl]-4-[(4-isocyano-1-phenylpyrazol-5-yl)diazenyl]pyrazol-3-yl]phenyl]methylperoxy]pentyl 4-[5-amino-4-[(4-cyano-1-phenylpyrazol-5-yl)diazenyl]-1-[4-hydroxy-6-(4-methylanilino)-1,3,5-triazin-2-yl]pyrazol-3-yl]benzoate (PubChem CID 159341603) has the molecular formula C151H136N74O28S4 and a molecular weight of 3563.51 g/mol. Its IUPAC name is 2-[[4-[5-amino-4-[[1-[4-[3-[[4-[5-[[5-amino-3-methyl-1-[2-oxo-6-(2-sulfoethylamino)-1H-1,3,5-triazin-4-yl]pyrazol-4-yl]diazenyl]-4-isocyanopyrazol-1-yl]phenyl]sulfonylamino]propylamino]peroxysulfanylphenyl]-4-cyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-oxo-1H-1,3,5-triazin-2-yl]amino]ethanesulfonic acid;4-[5-[[5-amino-1-[2-(2-carboxyethylamino)-6-oxo-1H-1,3,5-triazin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-3-[3-[5-[[5-amino-1-[2-(2-carboxyethylamino)-6-oxo-1H-1,3,5-triazin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(4-carboxyphenyl)-4-isocyanopyrazol-3-yl]propyl]-4-cyanopyrazol-1-yl]benzoic acid;5-[[4-[5-amino-1-[4-hydroxy-6-(4-methylanilino)-1,3,5-triazin-2-yl]-4-[(4-isocyano-1-phenylpyrazol-5-yl)diazenyl]pyrazol-3-yl]phenyl]methylperoxy]pentyl 4-[5-amino-4-[(4-cyano-1-phenylpyrazol-5-yl)diazenyl]-1-[4-hydroxy-6-(4-methylanilino)-1,3,5-triazin-2-yl]pyrazol-3-yl]benzoate.

Molecular Properties

• Compound Name: 2-[[4-[5-amino-4-[[1-[4-[3-[[4-[5-[[5-amino-3-methyl-1-[2-oxo-6-(2-sulfoethylamino)-1H-1,3,5-triazin-4-yl]pyrazol-4-yl]diazenyl]-4-isocyanopyrazol-1-yl]phenyl]sulfonylamino]propylamino]peroxysulfanylphenyl]-4-cyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-oxo-1H-1,3,5-triazin-2-yl]amino]ethanesulfonic acid;4-[5-[[5-amino-1-[2-(2-carboxyethylamino)-6-oxo-1H-1,3,5-triazin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-3-[3-[5-[[5-amino-1-[2-(2-carboxyethylamino)-6-oxo-1H-1,3,5-triazin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(4-carboxyphenyl)-4-isocyanopyrazol-3-yl]propyl]-4-cyanopyrazol-1-yl]benzoic acid;5-[[4-[5-amino-1-[4-hydroxy-6-(4-methylanilino)-1,3,5-triazin-2-yl]-4-[(4-isocyano-1-phenylpyrazol-5-yl)diazenyl]pyrazol-3-yl]phenyl]methylperoxy]pentyl 4-[5-amino-4-[(4-cyano-1-phenylpyrazol-5-yl)diazenyl]-1-[4-hydroxy-6-(4-methylanilino)-1,3,5-triazin-2-yl]pyrazol-3-yl]benzoate
• PubChem CID: 159341603
• Molecular Formula: C151H136N74O28S4
• Molecular Weight: 3563.51 g/mol
• Exact Mass: 3561.04
• IUPAC Name: 2-[[4-[5-amino-4-[[1-[4-[3-[[4-[5-[[5-amino-3-methyl-1-[2-oxo-6-(2-sulfoethylamino)-1H-1,3,5-triazin-4-yl]pyrazol-4-yl]diazenyl]-4-isocyanopyrazol-1-yl]phenyl]sulfonylamino]propylamino]peroxysulfanylphenyl]-4-cyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-oxo-1H-1,3,5-triazin-2-yl]amino]ethanesulfonic acid;4-[5-[[5-amino-1-[2-(2-carboxyethylamino)-6-oxo-1H-1,3,5-triazin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-3-[3-[5-[[5-amino-1-[2-(2-carboxyethylamino)-6-oxo-1H-1,3,5-triazin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(4-carboxyphenyl)-4-isocyanopyrazol-3-yl]propyl]-4-cyanopyrazol-1-yl]benzoic acid;5-[[4-[5-amino-1-[4-hydroxy-6-(4-methylanilino)-1,3,5-triazin-2-yl]-4-[(4-isocyano-1-phenylpyrazol-5-yl)diazenyl]pyrazol-3-yl]phenyl]methylperoxy]pentyl 4-[5-amino-4-[(4-cyano-1-phenylpyrazol-5-yl)diazenyl]-1-[4-hydroxy-6-(4-methylanilino)-1,3,5-triazin-2-yl]pyrazol-3-yl]benzoate
• SMILES: [C-]#[N+]c1c(CCCc2nn(-c3ccc(C(=O)O)cc3)c(/N=N/c3c(C)nn(-c4nc(NCCC(=O)O)[nH]c(=O)n4)c3N)c2C#N)nn(-c2ccc(C(=O)O)cc2)c1/N=N/c1c(C)nn(-c2nc(NCCC(=O)O)[nH]c(=O)n2)c1N.[C-]#[N+]c1cnn(-c2ccc(S(=O)(=O)NCCCNOOSc3ccc(-n4ncc(C#N)c4/N=N/c4c(C)nn(-c5nc(NCCS(=O)(=O)O)[nH]c(=O)n5)c4N)cc3)cc2)c1/N=N/c1c(C)nn(-c2nc(NCCS(=O)(=O)O)[nH]c(=O)n2)c1N.[C-]#[N+]c1cnn(-c2ccccc2)c1/N=N/c1c(-c2ccc(COOCCCCCOC(=O)c3ccc(-c4nn(-c5nc(O)nc(Nc6ccc(C)cc6)n5)c(N)c4/N=N/c4c(C#N)cnn4-c4ccccc4)cc3)cc2)nn(-c2nc(O)nc(Nc3ccc(C)cc3)n2)c1N
• InChI: InChI=1S/C65H54N24O6.C45H40N24O10.C41H42N26O12S4/c1-39-17-29-46(30-18-39)72-60-74-62(78-64(91)76-60)88-55(67)53(80-82-57-45(35-66)36-70-86(57)48-13-7-4-8-14-48)52(85-88)43-25-27-44(28-26-43)59(90)93-33-11-6-12-34-94-95-38-41-21-23-42(24-22-41)51-54(81-83-58-50(69-3)37-71-87(58)49-15-9-5-10-16-49)56(68)89(84-51)63-75-61(77-65(92)79-63)73-47-31-19-40(2)20-32-47;1-20-31(34(47)68(62-20)42-52-40(54-44(78)56-42)50-17-15-29(70)71)58-60-36-26(19-46)27(64-66(36)24-11-7-22(8-12-24)38(74)75)5-4-6-28-33(49-3)37(67(65-28)25-13-9-23(10-14-25)39(76)77)61-59-32-21(2)63-69(35(32)48)43-53-41(55-45(79)57-43)51-18-16-30(72)73;1-22-30(32(43)66(62-22)38-52-36(54-40(68)56-38)46-15-17-81(70,71)72)58-60-34-24(19-42)20-48-64(34)25-5-9-27(10-6-25)80-79-78-50-13-4-14-51-83(76,77)28-11-7-26(8-12-28)65-35(29(45-3)21-49-65)61-59-31-23(2)63-67(33(31)44)39-53-37(55-41(69)57-39)47-16-18-82(73,74)75/h4-5,7-10,13-32,36-37H,6,11-12,33-34,38,67-68H2,1-2H3,(H2,72,74,76,78,91)(H2,73,75,77,79,92);7-14H,4-6,15-18,47-48H2,1-2H3,(H,70,71)(H,72,73)(H,74,75)(H,76,77)(H2,50,52,54,56,78)(H2,51,53,55,57,79);5-12,20-21,50-51H,4,13-18,43-44H2,1-2H3,(H,70,71,72)(H,73,74,75)(H2,46,52,54,56,68)(H2,47,53,55,57,69)/b82-80+,83-81+;2*60-58+,61-59+
• InChIKey: LGFBVRURCMCACP-PKOBFRSISA-N
• XLogP: 18.16
• TPSA: 1406.63 Ų
• H-Bond Donors: 26
• H-Bond Acceptors: 89
• Rotatable Bonds: 72
• Heavy Atoms: 257
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3563.51
LogP ≤ 5	18.16
H-Bond Donors ≤ 5	26
H-Bond Acceptors ≤ 10	89

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[5-amino-4-[[1-[4-[3-[[4-[5-[[5-amino-3-methyl-1-[2-oxo-6-(2-sulfoethylamino)-1H-1,3,5-triazin-4-yl]pyrazol-4-yl]diazenyl]-4-isocyanopyrazol-1-yl]phenyl]sulfonylamino]propylamino]peroxysulfanylphenyl]-4-cyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-oxo-1H-1,3,5-triazin-2-yl]amino]ethanesulfonic acid;4-[5-[[5-amino-1-[2-(2-carboxyethylamino)-6-oxo-1H-1,3,5-triazin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-3-[3-[5-[[5-amino-1-[2-(2-carboxyethylamino)-6-oxo-1H-1,3,5-triazin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(4-carboxyphenyl)-4-isocyanopyrazol-3-yl]propyl]-4-cyanopyrazol-1-yl]benzoic acid;5-[[4-[5-amino-1-[4-hydroxy-6-(4-methylanilino)-1,3,5-triazin-2-yl]-4-[(4-isocyano-1-phenylpyrazol-5-yl)diazenyl]pyrazol-3-yl]phenyl]methylperoxy]pentyl 4-[5-amino-4-[(4-cyano-1-phenylpyrazol-5-yl)diazenyl]-1-[4-hydroxy-6-(4-methylanilino)-1,3,5-triazin-2-yl]pyrazol-3-yl]benzoate?

The IUPAC name of 2-[[4-[5-amino-4-[[1-[4-[3-[[4-[5-[[5-amino-3-methyl-1-[2-oxo-6-(2-sulfoethylamino)-1H-1,3,5-triazin-4-yl]pyrazol-4-yl]diazenyl]-4-isocyanopyrazol-1-yl]phenyl]sulfonylamino]propylamino]peroxysulfanylphenyl]-4-cyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-oxo-1H-1,3,5-triazin-2-yl]amino]ethanesulfonic acid;4-[5-[[5-amino-1-[2-(2-carboxyethylamino)-6-oxo-1H-1,3,5-triazin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-3-[3-[5-[[5-amino-1-[2-(2-carboxyethylamino)-6-oxo-1H-1,3,5-triazin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(4-carboxyphenyl)-4-isocyanopyrazol-3-yl]propyl]-4-cyanopyrazol-1-yl]benzoic acid;5-[[4-[5-amino-1-[4-hydroxy-6-(4-methylanilino)-1,3,5-triazin-2-yl]-4-[(4-isocyano-1-phenylpyrazol-5-yl)diazenyl]pyrazol-3-yl]phenyl]methylperoxy]pentyl 4-[5-amino-4-[(4-cyano-1-phenylpyrazol-5-yl)diazenyl]-1-[4-hydroxy-6-(4-methylanilino)-1,3,5-triazin-2-yl]pyrazol-3-yl]benzoate (CID 159341603) is 2-[[4-[5-amino-4-[[1-[4-[3-[[4-[5-[[5-amino-3-methyl-1-[2-oxo-6-(2-sulfoethylamino)-1H-1,3,5-triazin-4-yl]pyrazol-4-yl]diazenyl]-4-isocyanopyrazol-1-yl]phenyl]sulfonylamino]propylamino]peroxysulfanylphenyl]-4-cyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-oxo-1H-1,3,5-triazin-2-yl]amino]ethanesulfonic acid;4-[5-[[5-amino-1-[2-(2-carboxyethylamino)-6-oxo-1H-1,3,5-triazin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-3-[3-[5-[[5-amino-1-[2-(2-carboxyethylamino)-6-oxo-1H-1,3,5-triazin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(4-carboxyphenyl)-4-isocyanopyrazol-3-yl]propyl]-4-cyanopyrazol-1-yl]benzoic acid;5-[[4-[5-amino-1-[4-hydroxy-6-(4-methylanilino)-1,3,5-triazin-2-yl]-4-[(4-isocyano-1-phenylpyrazol-5-yl)diazenyl]pyrazol-3-yl]phenyl]methylperoxy]pentyl 4-[5-amino-4-[(4-cyano-1-phenylpyrazol-5-yl)diazenyl]-1-[4-hydroxy-6-(4-methylanilino)-1,3,5-triazin-2-yl]pyrazol-3-yl]benzoate.

What is the SMILES notation for 2-[[4-[5-amino-4-[[1-[4-[3-[[4-[5-[[5-amino-3-methyl-1-[2-oxo-6-(2-sulfoethylamino)-1H-1,3,5-triazin-4-yl]pyrazol-4-yl]diazenyl]-4-isocyanopyrazol-1-yl]phenyl]sulfonylamino]propylamino]peroxysulfanylphenyl]-4-cyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-oxo-1H-1,3,5-triazin-2-yl]amino]ethanesulfonic acid;4-[5-[[5-amino-1-[2-(2-carboxyethylamino)-6-oxo-1H-1,3,5-triazin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-3-[3-[5-[[5-amino-1-[2-(2-carboxyethylamino)-6-oxo-1H-1,3,5-triazin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(4-carboxyphenyl)-4-isocyanopyrazol-3-yl]propyl]-4-cyanopyrazol-1-yl]benzoic acid;5-[[4-[5-amino-1-[4-hydroxy-6-(4-methylanilino)-1,3,5-triazin-2-yl]-4-[(4-isocyano-1-phenylpyrazol-5-yl)diazenyl]pyrazol-3-yl]phenyl]methylperoxy]pentyl 4-[5-amino-4-[(4-cyano-1-phenylpyrazol-5-yl)diazenyl]-1-[4-hydroxy-6-(4-methylanilino)-1,3,5-triazin-2-yl]pyrazol-3-yl]benzoate?

The canonical SMILES for 2-[[4-[5-amino-4-[[1-[4-[3-[[4-[5-[[5-amino-3-methyl-1-[2-oxo-6-(2-sulfoethylamino)-1H-1,3,5-triazin-4-yl]pyrazol-4-yl]diazenyl]-4-isocyanopyrazol-1-yl]phenyl]sulfonylamino]propylamino]peroxysulfanylphenyl]-4-cyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-oxo-1H-1,3,5-triazin-2-yl]amino]ethanesulfonic acid;4-[5-[[5-amino-1-[2-(2-carboxyethylamino)-6-oxo-1H-1,3,5-triazin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-3-[3-[5-[[5-amino-1-[2-(2-carboxyethylamino)-6-oxo-1H-1,3,5-triazin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(4-carboxyphenyl)-4-isocyanopyrazol-3-yl]propyl]-4-cyanopyrazol-1-yl]benzoic acid;5-[[4-[5-amino-1-[4-hydroxy-6-(4-methylanilino)-1,3,5-triazin-2-yl]-4-[(4-isocyano-1-phenylpyrazol-5-yl)diazenyl]pyrazol-3-yl]phenyl]methylperoxy]pentyl 4-[5-amino-4-[(4-cyano-1-phenylpyrazol-5-yl)diazenyl]-1-[4-hydroxy-6-(4-methylanilino)-1,3,5-triazin-2-yl]pyrazol-3-yl]benzoate is [C-]#[N+]c1c(CCCc2nn(-c3ccc(C(=O)O)cc3)c(/N=N/c3c(C)nn(-c4nc(NCCC(=O)O)[nH]c(=O)n4)c3N)c2C#N)nn(-c2ccc(C(=O)O)cc2)c1/N=N/c1c(C)nn(-c2nc(NCCC(=O)O)[nH]c(=O)n2)c1N.[C-]#[N+]c1cnn(-c2ccc(S(=O)(=O)NCCCNOOSc3ccc(-n4ncc(C#N)c4/N=N/c4c(C)nn(-c5nc(NCCS(=O)(=O)O)[nH]c(=O)n5)c4N)cc3)cc2)c1/N=N/c1c(C)nn(-c2nc(NCCS(=O)(=O)O)[nH]c(=O)n2)c1N.[C-]#[N+]c1cnn(-c2ccccc2)c1/N=N/c1c(-c2ccc(COOCCCCCOC(=O)c3ccc(-c4nn(-c5nc(O)nc(Nc6ccc(C)cc6)n5)c(N)c4/N=N/c4c(C#N)cnn4-c4ccccc4)cc3)cc2)nn(-c2nc(O)nc(Nc3ccc(C)cc3)n2)c1N.

What is the InChIKey of 2-[[4-[5-amino-4-[[1-[4-[3-[[4-[5-[[5-amino-3-methyl-1-[2-oxo-6-(2-sulfoethylamino)-1H-1,3,5-triazin-4-yl]pyrazol-4-yl]diazenyl]-4-isocyanopyrazol-1-yl]phenyl]sulfonylamino]propylamino]peroxysulfanylphenyl]-4-cyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-oxo-1H-1,3,5-triazin-2-yl]amino]ethanesulfonic acid;4-[5-[[5-amino-1-[2-(2-carboxyethylamino)-6-oxo-1H-1,3,5-triazin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-3-[3-[5-[[5-amino-1-[2-(2-carboxyethylamino)-6-oxo-1H-1,3,5-triazin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(4-carboxyphenyl)-4-isocyanopyrazol-3-yl]propyl]-4-cyanopyrazol-1-yl]benzoic acid;5-[[4-[5-amino-1-[4-hydroxy-6-(4-methylanilino)-1,3,5-triazin-2-yl]-4-[(4-isocyano-1-phenylpyrazol-5-yl)diazenyl]pyrazol-3-yl]phenyl]methylperoxy]pentyl 4-[5-amino-4-[(4-cyano-1-phenylpyrazol-5-yl)diazenyl]-1-[4-hydroxy-6-(4-methylanilino)-1,3,5-triazin-2-yl]pyrazol-3-yl]benzoate?

The InChIKey is LGFBVRURCMCACP-PKOBFRSISA-N. The full InChI is InChI=1S/C65H54N24O6.C45H40N24O10.C41H42N26O12S4/c1-39-17-29-46(30-18-39)72-60-74-62(78-64(91)76-60)88-55(67)53(80-82-57-45(35-66)36-70-86(57)48-13-7-4-8-14-48)52(85-88)43-25-27-44(28-26-43)59(90)93-33-11-6-12-34-94-95-38-41-21-23-42(24-22-41)51-54(81-83-58-50(69-3)37-71-87(58)49-15-9-5-10-16-49)56(68)89(84-51)63-75-61(77-65(92)79-63)73-47-31-19-40(2)20-32-47;1-20-31(34(47)68(62-20)42-52-40(54-44(78)56-42)50-17-15-29(70)71)58-60-36-26(19-46)27(64-66(36)24-11-7-22(8-12-24)38(74)75)5-4-6-28-33(49-3)37(67(65-28)25-13-9-23(10-14-25)39(76)77)61-59-32-21(2)63-69(35(32)48)43-53-41(55-45(79)57-43)51-18-16-30(72)73;1-22-30(32(43)66(62-22)38-52-36(54-40(68)56-38)46-15-17-81(70,71)72)58-60-34-24(19-42)20-48-64(34)25-5-9-27(10-6-25)80-79-78-50-13-4-14-51-83(76,77)28-11-7-26(8-12-28)65-35(29(45-3)21-49-65)61-59-31-23(2)63-67(33(31)44)39-53-37(55-41(69)57-39)47-16-18-82(73,74)75/h4-5,7-10,13-32,36-37H,6,11-12,33-34,38,67-68H2,1-2H3,(H2,72,74,76,78,91)(H2,73,75,77,79,92);7-14H,4-6,15-18,47-48H2,1-2H3,(H,70,71)(H,72,73)(H,74,75)(H,76,77)(H2,50,52,54,56,78)(H2,51,53,55,57,79);5-12,20-21,50-51H,4,13-18,43-44H2,1-2H3,(H,70,71,72)(H,73,74,75)(H2,46,52,54,56,68)(H2,47,53,55,57,69)/b82-80+,83-81+;2*60-58+,61-59+.

What are the key properties of 2-[[4-[5-amino-4-[[1-[4-[3-[[4-[5-[[5-amino-3-methyl-1-[2-oxo-6-(2-sulfoethylamino)-1H-1,3,5-triazin-4-yl]pyrazol-4-yl]diazenyl]-4-isocyanopyrazol-1-yl]phenyl]sulfonylamino]propylamino]peroxysulfanylphenyl]-4-cyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-oxo-1H-1,3,5-triazin-2-yl]amino]ethanesulfonic acid;4-[5-[[5-amino-1-[2-(2-carboxyethylamino)-6-oxo-1H-1,3,5-triazin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-3-[3-[5-[[5-amino-1-[2-(2-carboxyethylamino)-6-oxo-1H-1,3,5-triazin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(4-carboxyphenyl)-4-isocyanopyrazol-3-yl]propyl]-4-cyanopyrazol-1-yl]benzoic acid;5-[[4-[5-amino-1-[4-hydroxy-6-(4-methylanilino)-1,3,5-triazin-2-yl]-4-[(4-isocyano-1-phenylpyrazol-5-yl)diazenyl]pyrazol-3-yl]phenyl]methylperoxy]pentyl 4-[5-amino-4-[(4-cyano-1-phenylpyrazol-5-yl)diazenyl]-1-[4-hydroxy-6-(4-methylanilino)-1,3,5-triazin-2-yl]pyrazol-3-yl]benzoate?

2-[[4-[5-amino-4-[[1-[4-[3-[[4-[5-[[5-amino-3-methyl-1-[2-oxo-6-(2-sulfoethylamino)-1H-1,3,5-triazin-4-yl]pyrazol-4-yl]diazenyl]-4-isocyanopyrazol-1-yl]phenyl]sulfonylamino]propylamino]peroxysulfanylphenyl]-4-cyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-oxo-1H-1,3,5-triazin-2-yl]amino]ethanesulfonic acid;4-[5-[[5-amino-1-[2-(2-carboxyethylamino)-6-oxo-1H-1,3,5-triazin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-3-[3-[5-[[5-amino-1-[2-(2-carboxyethylamino)-6-oxo-1H-1,3,5-triazin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(4-carboxyphenyl)-4-isocyanopyrazol-3-yl]propyl]-4-cyanopyrazol-1-yl]benzoic acid;5-[[4-[5-amino-1-[4-hydroxy-6-(4-methylanilino)-1,3,5-triazin-2-yl]-4-[(4-isocyano-1-phenylpyrazol-5-yl)diazenyl]pyrazol-3-yl]phenyl]methylperoxy]pentyl 4-[5-amino-4-[(4-cyano-1-phenylpyrazol-5-yl)diazenyl]-1-[4-hydroxy-6-(4-methylanilino)-1,3,5-triazin-2-yl]pyrazol-3-yl]benzoate has a molecular weight of 3563.51 g/mol, XLogP of 18.16, 72 rotatable bonds, 26 hydrogen bond donors, and 89 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[5-amino-4-[[1-[4-[3-[[4-[5-[[5-amino-3-methyl-1-[2-oxo-6-(2-sulfoethylamino)-1H-1,3,5-triazin-4-yl]pyrazol-4-yl]diazenyl]-4-isocyanopyrazol-1-yl]phenyl]sulfonylamino]propylamino]peroxysulfanylphenyl]-4-cyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-oxo-1H-1,3,5-triazin-2-yl]amino]ethanesulfonic acid;4-[5-[[5-amino-1-[2-(2-carboxyethylamino)-6-oxo-1H-1,3,5-triazin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-3-[3-[5-[[5-amino-1-[2-(2-carboxyethylamino)-6-oxo-1H-1,3,5-triazin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(4-carboxyphenyl)-4-isocyanopyrazol-3-yl]propyl]-4-cyanopyrazol-1-yl]benzoic acid;5-[[4-[5-amino-1-[4-hydroxy-6-(4-methylanilino)-1,3,5-triazin-2-yl]-4-[(4-isocyano-1-phenylpyrazol-5-yl)diazenyl]pyrazol-3-yl]phenyl]methylperoxy]pentyl 4-[5-amino-4-[(4-cyano-1-phenylpyrazol-5-yl)diazenyl]-1-[4-hydroxy-6-(4-methylanilino)-1,3,5-triazin-2-yl]pyrazol-3-yl]benzoate is sourced from PubChem (CID 159341603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).