N-[2-[2-[3-[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]-2-oxopropoxy]ethoxy]ethyl]-2-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]acetamide;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-3-(2-methylazirin-2-yl)-N-prop-2-ynylpropanamide;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-N-prop-2-ynylpentanamide;(5Z)-5-[[4-(3H-indol-2-yloxy)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[6-(3H-indol-2-ylsulfanyl)-1-benzofuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione

C150H148N18O26S9 — CID 159584332

IUPACN-[2-[2-[3-[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]-2-oxopropoxy]ethoxy]ethyl]-2-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]acetamide;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-3-(2-methylazirin-2-yl)-N-prop-2-ynylpropanamide;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-N-prop-2-ynylpentanamide;(5Z)-5-[[4-(3H-indol-2-yloxy)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[6-(3H-indol-2-ylsulfanyl)-1-benzofuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
SMILESC#CCN(CC(=O)CCCCn1c(Sc2ccc(/C=C3\SC(=O)N(C(C)C)C3=O)o2)nc2ccccc21)C(=O)CCC1(C)C=N1.C#CCN(CC(=O)CCCCn1c(Sc2ccc(/C=C3\SC(=O)N(C(C)C)C3=O)o2)nc2ccccc21)C(=O)CCCC.CC(C)N1C(=O)S/C(=C\c2cc3ccc(SC4=Nc5ccccc5C4)cc3o2)C1=O.CC(C)N1C(=O)S/C(=C\c2ccc(OC3=Nc4ccccc4C3)cc2)C1=O.CC(C)N1C(=O)S/C(=C\c2ccc(Sc3nc4ccccc4n3CC(=O)NCCOCCOCC(=O)Cc3cccc4c3CN(C3CCC(=O)CC3=O)C4=O)o2)C1=O
InChIInChI=1S/C41H41N5O10S2.C33H35N5O5S2.C32H36N4O5S2.C23H18N2O3S2.C21H18N2O3S/c1-24(2)46-39(52)35(57-41(46)53)20-28-11-13-37(56-28)58-40-43-31-8-3-4-9-32(31)45(40)22-36(50)42-14-15-54-16-17-55-23-27(48)18-25-6-5-7-29-30(25)21-44(38(29)51)33-12-10-26(47)19-34(33)49;1-5-17-36(28(40)15-16-33(4)21-34-33)20-23(39)10-8-9-18-37-26-12-7-6-11-25(26)35-31(37)45-29-14-13-24(43-29)19-27-30(41)38(22(2)3)32(42)44-27;1-5-7-15-28(38)34(18-6-2)21-23(37)12-10-11-19-35-26-14-9-8-13-25(26)33-31(35)43-29-17-16-24(41-29)20-27-30(39)36(22(3)4)32(40)42-27;1-13(2)25-22(26)20(30-23(25)27)11-16-9-15-7-8-17(12-19(15)28-16)29-21-10-14-5-3-4-6-18(14)24-21;1-13(2)23-20(24)18(27-21(23)25)11-14-7-9-16(10-8-14)26-19-12-15-5-3-4-6-17(15)22-19/h3-9,11,13,20,24,33H,10,12,14-19,21-23H2,1-2H3,(H,42,50);1,6-7,11-14,19,21-22H,8-10,15-18,20H2,2-4H3;2,8-9,13-14,16-17,20,22H,5,7,10-12,15,18-19,21H2,1,3-4H3;3-9,11-13H,10H2,1-2H3;3-11,13H,12H2,1-2H3/b35-20-;27-19-;27-20-;20-11-;18-11-
InChIKeyMJKOXOGXCPCCGV-XEJKGGOBSA-N
MW2907.54 g/mol
LogP28.55
Rot. Bonds53

About N-[2-[2-[3-[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]-2-oxopropoxy]ethoxy]ethyl]-2-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]acetamide;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-3-(2-methylazirin-2-yl)-N-prop-2-ynylpropanamide;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-N-prop-2-ynylpentanamide;(5Z)-5-[[4-(3H-indol-2-yloxy)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[6-(3H-indol-2-ylsulfanyl)-1-benzofuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione

N-[2-[2-[3-[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]-2-oxopropoxy]ethoxy]ethyl]-2-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]acetamide;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-3-(2-methylazirin-2-yl)-N-prop-2-ynylpropanamide;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-N-prop-2-ynylpentanamide;(5Z)-5-[[4-(3H-indol-2-yloxy)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[6-(3H-indol-2-ylsulfanyl)-1-benzofuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione (PubChem CID 159584332) has the molecular formula C150H148N18O26S9 and a molecular weight of 2907.54 g/mol. Its IUPAC name is N-[2-[2-[3-[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]-2-oxopropoxy]ethoxy]ethyl]-2-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]acetamide;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-3-(2-methylazirin-2-yl)-N-prop-2-ynylpropanamide;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-N-prop-2-ynylpentanamide;(5Z)-5-[[4-(3H-indol-2-yloxy)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[6-(3H-indol-2-ylsulfanyl)-1-benzofuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound NameN-[2-[2-[3-[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]-2-oxopropoxy]ethoxy]ethyl]-2-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]acetamide;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-3-(2-methylazirin-2-yl)-N-prop-2-ynylpropanamide;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-N-prop-2-ynylpentanamide;(5Z)-5-[[4-(3H-indol-2-yloxy)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[6-(3H-indol-2-ylsulfanyl)-1-benzofuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
PubChem CID159584332
Molecular FormulaC150H148N18O26S9
Molecular Weight2907.54 g/mol
Exact Mass2904.83
IUPAC NameN-[2-[2-[3-[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]-2-oxopropoxy]ethoxy]ethyl]-2-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]acetamide;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-3-(2-methylazirin-2-yl)-N-prop-2-ynylpropanamide;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-N-prop-2-ynylpentanamide;(5Z)-5-[[4-(3H-indol-2-yloxy)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[6-(3H-indol-2-ylsulfanyl)-1-benzofuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
SMILESC#CCN(CC(=O)CCCCn1c(Sc2ccc(/C=C3\SC(=O)N(C(C)C)C3=O)o2)nc2ccccc21)C(=O)CCC1(C)C=N1.C#CCN(CC(=O)CCCCn1c(Sc2ccc(/C=C3\SC(=O)N(C(C)C)C3=O)o2)nc2ccccc21)C(=O)CCCC.CC(C)N1C(=O)S/C(=C\c2cc3ccc(SC4=Nc5ccccc5C4)cc3o2)C1=O.CC(C)N1C(=O)S/C(=C\c2ccc(OC3=Nc4ccccc4C3)cc2)C1=O.CC(C)N1C(=O)S/C(=C\c2ccc(Sc3nc4ccccc4n3CC(=O)NCCOCCOCC(=O)Cc3cccc4c3CN(C3CCC(=O)CC3=O)C4=O)o2)C1=O
InChIInChI=1S/C41H41N5O10S2.C33H35N5O5S2.C32H36N4O5S2.C23H18N2O3S2.C21H18N2O3S/c1-24(2)46-39(52)35(57-41(46)53)20-28-11-13-37(56-28)58-40-43-31-8-3-4-9-32(31)45(40)22-36(50)42-14-15-54-16-17-55-23-27(48)18-25-6-5-7-29-30(25)21-44(38(29)51)33-12-10-26(47)19-34(33)49;1-5-17-36(28(40)15-16-33(4)21-34-33)20-23(39)10-8-9-18-37-26-12-7-6-11-25(26)35-31(37)45-29-14-13-24(43-29)19-27-30(41)38(22(2)3)32(42)44-27;1-5-7-15-28(38)34(18-6-2)21-23(37)12-10-11-19-35-26-14-9-8-13-25(26)33-31(35)43-29-17-16-24(41-29)20-27-30(39)36(22(3)4)32(40)42-27;1-13(2)25-22(26)20(30-23(25)27)11-16-9-15-7-8-17(12-19(15)28-16)29-21-10-14-5-3-4-6-18(14)24-21;1-13(2)23-20(24)18(27-21(23)25)11-14-7-9-16(10-8-14)26-19-12-15-5-3-4-6-17(15)22-19/h3-9,11,13,20,24,33H,10,12,14-19,21-23H2,1-2H3,(H,42,50);1,6-7,11-14,19,21-22H,8-10,15-18,20H2,2-4H3;2,8-9,13-14,16-17,20,22H,5,7,10-12,15,18-19,21H2,1,3-4H3;3-9,11-13H,10H2,1-2H3;3-11,13H,12H2,1-2H3/b35-20-;27-19-;27-20-;20-11-;18-11-
InChIKeyMJKOXOGXCPCCGV-XEJKGGOBSA-N
XLogP28.55
TPSA533.07 Ų
H-Bond Donors1
H-Bond Acceptors44
Rotatable Bonds53
Heavy Atoms203
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002907.54
LogP ≤ 528.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'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': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[2-[2-[3-[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]-2-oxopropoxy]ethoxy]ethyl]-2-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]acetamide;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-3-(2-methylazirin-2-yl)-N-prop-2-ynylpropanamide;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-N-prop-2-ynylpentanamide;(5Z)-5-[[4-(3H-indol-2-yloxy)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[6-(3H-indol-2-ylsulfanyl)-1-benzofuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[3-[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]-2-oxopropoxy]ethoxy]ethyl]-2-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]acetamide;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-3-(2-methylazirin-2-yl)-N-prop-2-ynylpropanamide;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-N-prop-2-ynylpentanamide;(5Z)-5-[[4-(3H-indol-2-yloxy)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[6-(3H-indol-2-ylsulfanyl)-1-benzofuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione?
The IUPAC name of N-[2-[2-[3-[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]-2-oxopropoxy]ethoxy]ethyl]-2-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]acetamide;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-3-(2-methylazirin-2-yl)-N-prop-2-ynylpropanamide;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-N-prop-2-ynylpentanamide;(5Z)-5-[[4-(3H-indol-2-yloxy)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[6-(3H-indol-2-ylsulfanyl)-1-benzofuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione (CID 159584332) is N-[2-[2-[3-[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]-2-oxopropoxy]ethoxy]ethyl]-2-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]acetamide;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-3-(2-methylazirin-2-yl)-N-prop-2-ynylpropanamide;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-N-prop-2-ynylpentanamide;(5Z)-5-[[4-(3H-indol-2-yloxy)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[6-(3H-indol-2-ylsulfanyl)-1-benzofuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for N-[2-[2-[3-[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]-2-oxopropoxy]ethoxy]ethyl]-2-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]acetamide;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-3-(2-methylazirin-2-yl)-N-prop-2-ynylpropanamide;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-N-prop-2-ynylpentanamide;(5Z)-5-[[4-(3H-indol-2-yloxy)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[6-(3H-indol-2-ylsulfanyl)-1-benzofuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for N-[2-[2-[3-[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]-2-oxopropoxy]ethoxy]ethyl]-2-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]acetamide;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-3-(2-methylazirin-2-yl)-N-prop-2-ynylpropanamide;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-N-prop-2-ynylpentanamide;(5Z)-5-[[4-(3H-indol-2-yloxy)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[6-(3H-indol-2-ylsulfanyl)-1-benzofuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione is C#CCN(CC(=O)CCCCn1c(Sc2ccc(/C=C3\SC(=O)N(C(C)C)C3=O)o2)nc2ccccc21)C(=O)CCC1(C)C=N1.C#CCN(CC(=O)CCCCn1c(Sc2ccc(/C=C3\SC(=O)N(C(C)C)C3=O)o2)nc2ccccc21)C(=O)CCCC.CC(C)N1C(=O)S/C(=C\c2cc3ccc(SC4=Nc5ccccc5C4)cc3o2)C1=O.CC(C)N1C(=O)S/C(=C\c2ccc(OC3=Nc4ccccc4C3)cc2)C1=O.CC(C)N1C(=O)S/C(=C\c2ccc(Sc3nc4ccccc4n3CC(=O)NCCOCCOCC(=O)Cc3cccc4c3CN(C3CCC(=O)CC3=O)C4=O)o2)C1=O.
What is the InChIKey of N-[2-[2-[3-[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]-2-oxopropoxy]ethoxy]ethyl]-2-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]acetamide;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-3-(2-methylazirin-2-yl)-N-prop-2-ynylpropanamide;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-N-prop-2-ynylpentanamide;(5Z)-5-[[4-(3H-indol-2-yloxy)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[6-(3H-indol-2-ylsulfanyl)-1-benzofuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione?
The InChIKey is MJKOXOGXCPCCGV-XEJKGGOBSA-N. The full InChI is InChI=1S/C41H41N5O10S2.C33H35N5O5S2.C32H36N4O5S2.C23H18N2O3S2.C21H18N2O3S/c1-24(2)46-39(52)35(57-41(46)53)20-28-11-13-37(56-28)58-40-43-31-8-3-4-9-32(31)45(40)22-36(50)42-14-15-54-16-17-55-23-27(48)18-25-6-5-7-29-30(25)21-44(38(29)51)33-12-10-26(47)19-34(33)49;1-5-17-36(28(40)15-16-33(4)21-34-33)20-23(39)10-8-9-18-37-26-12-7-6-11-25(26)35-31(37)45-29-14-13-24(43-29)19-27-30(41)38(22(2)3)32(42)44-27;1-5-7-15-28(38)34(18-6-2)21-23(37)12-10-11-19-35-26-14-9-8-13-25(26)33-31(35)43-29-17-16-24(41-29)20-27-30(39)36(22(3)4)32(40)42-27;1-13(2)25-22(26)20(30-23(25)27)11-16-9-15-7-8-17(12-19(15)28-16)29-21-10-14-5-3-4-6-18(14)24-21;1-13(2)23-20(24)18(27-21(23)25)11-14-7-9-16(10-8-14)26-19-12-15-5-3-4-6-17(15)22-19/h3-9,11,13,20,24,33H,10,12,14-19,21-23H2,1-2H3,(H,42,50);1,6-7,11-14,19,21-22H,8-10,15-18,20H2,2-4H3;2,8-9,13-14,16-17,20,22H,5,7,10-12,15,18-19,21H2,1,3-4H3;3-9,11-13H,10H2,1-2H3;3-11,13H,12H2,1-2H3/b35-20-;27-19-;27-20-;20-11-;18-11-.
What are the key properties of N-[2-[2-[3-[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]-2-oxopropoxy]ethoxy]ethyl]-2-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]acetamide;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-3-(2-methylazirin-2-yl)-N-prop-2-ynylpropanamide;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-N-prop-2-ynylpentanamide;(5Z)-5-[[4-(3H-indol-2-yloxy)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[6-(3H-indol-2-ylsulfanyl)-1-benzofuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione?
N-[2-[2-[3-[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]-2-oxopropoxy]ethoxy]ethyl]-2-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]acetamide;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-3-(2-methylazirin-2-yl)-N-prop-2-ynylpropanamide;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-N-prop-2-ynylpentanamide;(5Z)-5-[[4-(3H-indol-2-yloxy)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[6-(3H-indol-2-ylsulfanyl)-1-benzofuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione has a molecular weight of 2907.54 g/mol, XLogP of 28.55, 53 rotatable bonds, 1 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[3-[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]-2-oxopropoxy]ethoxy]ethyl]-2-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]acetamide;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-3-(2-methylazirin-2-yl)-N-prop-2-ynylpropanamide;N-[6-[2-[5-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]sulfanylbenzimidazol-1-yl]-2-oxohexyl]-N-prop-2-ynylpentanamide;(5Z)-5-[[4-(3H-indol-2-yloxy)phenyl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[6-(3H-indol-2-ylsulfanyl)-1-benzofuran-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 159584332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).