8-[[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-4-yl]amino]-N-[2-[3-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]ethyl]octanamide;5-[2-[4-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]ethylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[8-[2-[4-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]ethylamino]octylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;3-[4-[(1S,4S)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-N-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]butyl]propanamide;3-[4-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-N-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]propanamide

C210H232N28O29 — CID 167639560

About 8-[[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-4-yl]amino]-N-[2-[3-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]ethyl]octanamide;5-[2-[4-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]ethylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[8-[2-[4-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]ethylamino]octylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;3-[4-[(1S,4S)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-N-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]butyl]propanamide;3-[4-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-N-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]propanamide

8-[[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-4-yl]amino]-N-[2-[3-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]ethyl]octanamide;5-[2-[4-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]ethylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[8-[2-[4-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]ethylamino]octylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;3-[4-[(1S,4S)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-N-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]butyl]propanamide;3-[4-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-N-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]propanamide (PubChem CID 167639560) has the molecular formula C210H232N28O29 and a molecular weight of 3612.33 g/mol. Its IUPAC name is 8-[[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-4-yl]amino]-N-[2-[3-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]ethyl]octanamide;5-[2-[4-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]ethylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[8-[2-[4-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]ethylamino]octylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;3-[4-[(1S,4S)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-N-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]butyl]propanamide;3-[4-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-N-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]propanamide.

Molecular Properties

• Compound Name: 8-[[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-4-yl]amino]-N-[2-[3-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]ethyl]octanamide;5-[2-[4-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]ethylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[8-[2-[4-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]ethylamino]octylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;3-[4-[(1S,4S)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-N-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]butyl]propanamide;3-[4-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-N-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]propanamide
• PubChem CID: 167639560
• Molecular Formula: C210H232N28O29
• Molecular Weight: 3612.33 g/mol
• Exact Mass: 3609.75
• IUPAC Name: 8-[[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-4-yl]amino]-N-[2-[3-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]ethyl]octanamide;5-[2-[4-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]ethylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[8-[2-[4-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]ethylamino]octylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;3-[4-[(1S,4S)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-N-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]butyl]propanamide;3-[4-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-N-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]propanamide
• SMILES: C=C1CCC(N2C(=O)c3ccc(NCCCCCCCCNC(=O)CCc4ccc(N5C[C@H]6C[C@@H]5CN6/C=C/C(=O)c5ccccc5O)cc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(NCCCCCCCCNCCc4ccc(N5C[C@H]6C[C@@H]5CN6/C=C/C(=O)c5ccccc5O)cc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(NCCCCNC(=O)CCc4ccc(N5C[C@@H]6C[C@H]5CN6/C=C/C(=O)c5ccccc5O)cc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(NCCc4ccc(N5C[C@H]6C[C@@H]5CN6/C=C/C(=O)c5ccccc5O)cc4)cc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3cccc(NCCCCCCCC(=O)NCCc4cccc(N5C[C@H]6C[C@@H]5CN6/C=C/C(=O)c5ccccc5O)c4)c3C2=O)C(=O)C1
• InChI: InChI=1S/C45H52N6O6.C44H52N6O5.C44H49N5O7.C41H44N6O6.C36H35N5O5/c1-30-12-20-39(43(55)48-30)51-44(56)36-19-16-32(26-38(36)45(51)57)46-23-8-4-2-3-5-9-24-47-42(54)21-15-31-13-17-33(18-14-31)50-29-34-27-35(50)28-49(34)25-22-41(53)37-10-6-7-11-40(37)52;1-30-12-19-39(42(53)47-30)50-43(54)36-18-15-32(26-38(36)44(50)55)46-23-9-5-3-2-4-8-22-45-24-20-31-13-16-33(17-14-31)49-29-34-27-35(49)28-48(34)25-21-41(52)37-10-6-7-11-40(37)51;50-33-17-18-37(40(53)26-33)49-43(55)35-13-9-14-36(42(35)44(49)56)45-21-7-3-1-2-4-16-41(54)46-22-19-29-10-8-11-30(24-29)48-28-31-25-32(48)27-47(31)23-20-39(52)34-12-5-6-15-38(34)51;1-26-8-16-35(39(51)44-26)47-40(52)32-15-12-28(22-34(32)41(47)53)42-19-4-5-20-43-38(50)17-11-27-9-13-29(14-10-27)46-25-30-23-31(46)24-45(30)21-18-37(49)33-6-2-3-7-36(33)48;1-22-6-13-31(34(44)38-22)41-35(45)28-12-9-24(18-30(28)36(41)46)37-16-14-23-7-10-25(11-8-23)40-21-26-19-27(40)20-39(26)17-15-33(43)29-4-2-3-5-32(29)42/h6-7,10-11,13-14,16-19,22,25-26,34-35,39,46,52H,1-5,8-9,12,15,20-21,23-24,27-29H2,(H,47,54)(H,48,55);6-7,10-11,13-18,21,25-26,34-35,39,45-46,51H,1-5,8-9,12,19-20,22-24,27-29H2,(H,47,53);5-6,8-15,20,23-24,31-32,37,45,51H,1-4,7,16-19,21-22,25-28H2,(H,46,54);2-3,6-7,9-10,12-15,18,21-22,30-31,35,42,48H,1,4-5,8,11,16-17,19-20,23-25H2,(H,43,50)(H,44,51);2-5,7-12,15,17-18,26-27,31,37,42H,1,6,13-14,16,19-21H2,(H,38,44)/b25-22+;25-21+;23-20+;21-18+;17-15+/t2*34-,35-,39?;31-,32-,37?;30-,31-,35?;26-,27-,31?/m11101/s1
• InChIKey: OYXSOQXWYRWQOR-IAONUQMPSA-N
• XLogP: 25.89
• TPSA: 715.82 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 45
• Rotatable Bonds: 76
• Heavy Atoms: 267
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3612.33
LogP ≤ 5	25.89
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-4-yl]amino]-N-[2-[3-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]ethyl]octanamide;5-[2-[4-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]ethylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[8-[2-[4-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]ethylamino]octylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;3-[4-[(1S,4S)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-N-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]butyl]propanamide;3-[4-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-N-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]propanamide?

The IUPAC name of 8-[[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-4-yl]amino]-N-[2-[3-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]ethyl]octanamide;5-[2-[4-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]ethylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[8-[2-[4-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]ethylamino]octylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;3-[4-[(1S,4S)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-N-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]butyl]propanamide;3-[4-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-N-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]propanamide (CID 167639560) is 8-[[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-4-yl]amino]-N-[2-[3-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]ethyl]octanamide;5-[2-[4-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]ethylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[8-[2-[4-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]ethylamino]octylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;3-[4-[(1S,4S)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-N-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]butyl]propanamide;3-[4-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-N-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]propanamide.

What is the SMILES notation for 8-[[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-4-yl]amino]-N-[2-[3-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]ethyl]octanamide;5-[2-[4-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]ethylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[8-[2-[4-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]ethylamino]octylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;3-[4-[(1S,4S)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-N-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]butyl]propanamide;3-[4-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-N-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]propanamide?

The canonical SMILES for 8-[[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-4-yl]amino]-N-[2-[3-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]ethyl]octanamide;5-[2-[4-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]ethylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[8-[2-[4-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]ethylamino]octylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;3-[4-[(1S,4S)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-N-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]butyl]propanamide;3-[4-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-N-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]propanamide is C=C1CCC(N2C(=O)c3ccc(NCCCCCCCCNC(=O)CCc4ccc(N5C[C@H]6C[C@@H]5CN6/C=C/C(=O)c5ccccc5O)cc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(NCCCCCCCCNCCc4ccc(N5C[C@H]6C[C@@H]5CN6/C=C/C(=O)c5ccccc5O)cc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(NCCCCNC(=O)CCc4ccc(N5C[C@@H]6C[C@H]5CN6/C=C/C(=O)c5ccccc5O)cc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(NCCc4ccc(N5C[C@H]6C[C@@H]5CN6/C=C/C(=O)c5ccccc5O)cc4)cc3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3cccc(NCCCCCCCC(=O)NCCc4cccc(N5C[C@H]6C[C@@H]5CN6/C=C/C(=O)c5ccccc5O)c4)c3C2=O)C(=O)C1.

What is the InChIKey of 8-[[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-4-yl]amino]-N-[2-[3-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]ethyl]octanamide;5-[2-[4-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]ethylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[8-[2-[4-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]ethylamino]octylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;3-[4-[(1S,4S)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-N-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]butyl]propanamide;3-[4-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-N-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]propanamide?

The InChIKey is OYXSOQXWYRWQOR-IAONUQMPSA-N. The full InChI is InChI=1S/C45H52N6O6.C44H52N6O5.C44H49N5O7.C41H44N6O6.C36H35N5O5/c1-30-12-20-39(43(55)48-30)51-44(56)36-19-16-32(26-38(36)45(51)57)46-23-8-4-2-3-5-9-24-47-42(54)21-15-31-13-17-33(18-14-31)50-29-34-27-35(50)28-49(34)25-22-41(53)37-10-6-7-11-40(37)52;1-30-12-19-39(42(53)47-30)50-43(54)36-18-15-32(26-38(36)44(50)55)46-23-9-5-3-2-4-8-22-45-24-20-31-13-16-33(17-14-31)49-29-34-27-35(49)28-48(34)25-21-41(52)37-10-6-7-11-40(37)51;50-33-17-18-37(40(53)26-33)49-43(55)35-13-9-14-36(42(35)44(49)56)45-21-7-3-1-2-4-16-41(54)46-22-19-29-10-8-11-30(24-29)48-28-31-25-32(48)27-47(31)23-20-39(52)34-12-5-6-15-38(34)51;1-26-8-16-35(39(51)44-26)47-40(52)32-15-12-28(22-34(32)41(47)53)42-19-4-5-20-43-38(50)17-11-27-9-13-29(14-10-27)46-25-30-23-31(46)24-45(30)21-18-37(49)33-6-2-3-7-36(33)48;1-22-6-13-31(34(44)38-22)41-35(45)28-12-9-24(18-30(28)36(41)46)37-16-14-23-7-10-25(11-8-23)40-21-26-19-27(40)20-39(26)17-15-33(43)29-4-2-3-5-32(29)42/h6-7,10-11,13-14,16-19,22,25-26,34-35,39,46,52H,1-5,8-9,12,15,20-21,23-24,27-29H2,(H,47,54)(H,48,55);6-7,10-11,13-18,21,25-26,34-35,39,45-46,51H,1-5,8-9,12,19-20,22-24,27-29H2,(H,47,53);5-6,8-15,20,23-24,31-32,37,45,51H,1-4,7,16-19,21-22,25-28H2,(H,46,54);2-3,6-7,9-10,12-15,18,21-22,30-31,35,42,48H,1,4-5,8,11,16-17,19-20,23-25H2,(H,43,50)(H,44,51);2-5,7-12,15,17-18,26-27,31,37,42H,1,6,13-14,16,19-21H2,(H,38,44)/b25-22+;25-21+;23-20+;21-18+;17-15+/t2*34-,35-,39?;31-,32-,37?;30-,31-,35?;26-,27-,31?/m11101/s1.

What are the key properties of 8-[[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-4-yl]amino]-N-[2-[3-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]ethyl]octanamide;5-[2-[4-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]ethylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[8-[2-[4-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]ethylamino]octylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;3-[4-[(1S,4S)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-N-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]butyl]propanamide;3-[4-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-N-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]propanamide?

8-[[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-4-yl]amino]-N-[2-[3-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]ethyl]octanamide;5-[2-[4-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]ethylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[8-[2-[4-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]ethylamino]octylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;3-[4-[(1S,4S)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-N-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]butyl]propanamide;3-[4-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-N-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]propanamide has a molecular weight of 3612.33 g/mol, XLogP of 25.89, 76 rotatable bonds, 18 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-4-yl]amino]-N-[2-[3-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]ethyl]octanamide;5-[2-[4-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]ethylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[8-[2-[4-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]ethylamino]octylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;3-[4-[(1S,4S)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-N-[4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]butyl]propanamide;3-[4-[(1R,4R)-5-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-N-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]propanamide is sourced from PubChem (CID 167639560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).