3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]-N-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]benzamide;4-[[10-[3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]phenyl]-10-oxodecyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[6-[2-[2-[5-[3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]phenyl]-5-oxopentoxy]ethoxy]ethoxy]-2-oxohexoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]-N-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]benzamide;4-[[10-[3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]phenyl]-10-oxodecyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione

C266H319N29O53S5 — CID 158853171

IUPAC3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]-N-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]benzamide;4-[[10-[3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]phenyl]-10-oxodecyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[6-[2-[2-[5-[3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]phenyl]-5-oxopentoxy]ethoxy]ethoxy]-2-oxohexoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]-N-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]benzamide;4-[[10-[3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]phenyl]-10-oxodecyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3ccc(NCCCCCCCCNC(=O)c4cccc(S(=O)(=O)Cc5cc6c(cc5Oc5cc(OCCC)cc(OCCCCN(C)C)c5)n(C)c(=O)n6C)c4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(NCCCCCCCCNC(=O)c4cccc(S(=O)(=O)Cc5cc6c(cc5Oc5cccc(OCCC)c5)n(C)c(=O)n6C)c4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCCCCCCCCCC(=O)c4cccc(S(=O)(=O)Cc5cc6c(cc5Oc5cc(OCCC)cc(OCCCCN(C)C)c5)n(C)c(=O)n6C)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCCCCCCCCCC(=O)c4cccc(S(=O)(=O)Cc5cc6c(cc5Oc5cccc(OCCC)c5)n(C)c(=O)n6C)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCC(=O)CCCCOCCOCCOCCCCC(=O)c4cccc(S(=O)(=O)Cc5cc6c(cc5Oc5cc(OCCC)cc(OCCCCN(C)C)c5)n(C)c(=O)n6C)c4)c3C2=O)C(=O)N1
InChIInChI=1S/C60H75N5O15S.C55H68N6O10S.C54H67N7O10S.C49H55N5O9S.C48H54N6O9S/c1-7-25-77-45-35-46(78-28-13-10-24-62(3)4)37-47(36-45)80-55-38-52-51(63(5)60(71)64(52)6)34-43(55)40-81(72,73)48-18-14-16-42(33-48)53(67)20-9-12-27-75-30-32-76-31-29-74-26-11-8-17-44(66)39-79-54-21-15-19-49-56(54)59(70)65(58(49)69)50-23-22-41(2)61-57(50)68;1-7-28-69-40-32-41(70-29-16-15-27-58(3)4)34-42(33-40)71-50-35-48-47(59(5)55(66)60(48)6)31-39(50)36-72(67,68)43-20-17-19-38(30-43)49(62)23-13-11-9-8-10-12-14-26-56-45-22-18-21-44-51(45)54(65)61(53(44)64)46-25-24-37(2)57-52(46)63;1-7-26-69-40-31-41(70-27-15-14-25-58(3)4)33-42(32-40)71-49-34-48-47(59(5)54(66)60(48)6)29-38(49)35-72(67,68)43-18-16-17-37(28-43)50(62)56-24-13-11-9-8-10-12-23-55-39-20-21-44-45(30-39)53(65)61(52(44)64)46-22-19-36(2)57-51(46)63;1-5-26-62-35-17-14-18-36(29-35)63-44-30-42-41(52(3)49(59)53(42)4)28-34(44)31-64(60,61)37-19-13-16-33(27-37)43(55)22-11-9-7-6-8-10-12-25-50-39-21-15-20-38-45(39)48(58)54(47(38)57)40-24-23-32(2)51-46(40)56;1-5-24-62-35-15-13-16-36(28-35)63-43-29-42-41(52(3)48(59)53(42)4)26-33(43)30-64(60,61)37-17-12-14-32(25-37)44(55)50-23-11-9-7-6-8-10-22-49-34-19-20-38-39(27-34)47(58)54(46(38)57)40-21-18-31(2)51-45(40)56/h14-16,18-19,21,33-38,50H,2,7-13,17,20,22-32,39-40H2,1,3-6H3,(H,61,68);17-22,30-35,46,56H,2,7-16,23-29,36H2,1,3-6H3,(H,57,63);16-18,20-21,28-34,46,55H,2,7-15,19,22-27,35H2,1,3-6H3,(H,56,62)(H,57,63);13-21,27-30,40,50H,2,5-12,22-26,31H2,1,3-4H3,(H,51,56);12-17,19-20,25-29,40,49H,2,5-11,18,21-24,30H2,1,3-4H3,(H,50,55)(H,51,56)
InChIKeyIZSFQAQOKYTNLF-UHFFFAOYSA-N
MW4930.96 g/mol
LogP39.68
Rot. Bonds129

About 3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]-N-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]benzamide;4-[[10-[3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]phenyl]-10-oxodecyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[6-[2-[2-[5-[3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]phenyl]-5-oxopentoxy]ethoxy]ethoxy]-2-oxohexoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]-N-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]benzamide;4-[[10-[3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]phenyl]-10-oxodecyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione

3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]-N-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]benzamide;4-[[10-[3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]phenyl]-10-oxodecyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[6-[2-[2-[5-[3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]phenyl]-5-oxopentoxy]ethoxy]ethoxy]-2-oxohexoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]-N-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]benzamide;4-[[10-[3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]phenyl]-10-oxodecyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 158853171) has the molecular formula C266H319N29O53S5 and a molecular weight of 4930.96 g/mol. Its IUPAC name is 3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]-N-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]benzamide;4-[[10-[3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]phenyl]-10-oxodecyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[6-[2-[2-[5-[3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]phenyl]-5-oxopentoxy]ethoxy]ethoxy]-2-oxohexoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]-N-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]benzamide;4-[[10-[3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]phenyl]-10-oxodecyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]-N-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]benzamide;4-[[10-[3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]phenyl]-10-oxodecyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[6-[2-[2-[5-[3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]phenyl]-5-oxopentoxy]ethoxy]ethoxy]-2-oxohexoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]-N-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]benzamide;4-[[10-[3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]phenyl]-10-oxodecyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID158853171
Molecular FormulaC266H319N29O53S5
Molecular Weight4930.96 g/mol
Exact Mass4927.18
IUPAC Name3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]-N-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]benzamide;4-[[10-[3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]phenyl]-10-oxodecyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[6-[2-[2-[5-[3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]phenyl]-5-oxopentoxy]ethoxy]ethoxy]-2-oxohexoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]-N-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]benzamide;4-[[10-[3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]phenyl]-10-oxodecyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3ccc(NCCCCCCCCNC(=O)c4cccc(S(=O)(=O)Cc5cc6c(cc5Oc5cc(OCCC)cc(OCCCCN(C)C)c5)n(C)c(=O)n6C)c4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(NCCCCCCCCNC(=O)c4cccc(S(=O)(=O)Cc5cc6c(cc5Oc5cccc(OCCC)c5)n(C)c(=O)n6C)c4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCCCCCCCCCC(=O)c4cccc(S(=O)(=O)Cc5cc6c(cc5Oc5cc(OCCC)cc(OCCCCN(C)C)c5)n(C)c(=O)n6C)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCCCCCCCCCC(=O)c4cccc(S(=O)(=O)Cc5cc6c(cc5Oc5cccc(OCCC)c5)n(C)c(=O)n6C)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCC(=O)CCCCOCCOCCOCCCCC(=O)c4cccc(S(=O)(=O)Cc5cc6c(cc5Oc5cc(OCCC)cc(OCCCCN(C)C)c5)n(C)c(=O)n6C)c4)c3C2=O)C(=O)N1
InChIInChI=1S/C60H75N5O15S.C55H68N6O10S.C54H67N7O10S.C49H55N5O9S.C48H54N6O9S/c1-7-25-77-45-35-46(78-28-13-10-24-62(3)4)37-47(36-45)80-55-38-52-51(63(5)60(71)64(52)6)34-43(55)40-81(72,73)48-18-14-16-42(33-48)53(67)20-9-12-27-75-30-32-76-31-29-74-26-11-8-17-44(66)39-79-54-21-15-19-49-56(54)59(70)65(58(49)69)50-23-22-41(2)61-57(50)68;1-7-28-69-40-32-41(70-29-16-15-27-58(3)4)34-42(33-40)71-50-35-48-47(59(5)55(66)60(48)6)31-39(50)36-72(67,68)43-20-17-19-38(30-43)49(62)23-13-11-9-8-10-12-14-26-56-45-22-18-21-44-51(45)54(65)61(53(44)64)46-25-24-37(2)57-52(46)63;1-7-26-69-40-31-41(70-27-15-14-25-58(3)4)33-42(32-40)71-49-34-48-47(59(5)54(66)60(48)6)29-38(49)35-72(67,68)43-18-16-17-37(28-43)50(62)56-24-13-11-9-8-10-12-23-55-39-20-21-44-45(30-39)53(65)61(52(44)64)46-22-19-36(2)57-51(46)63;1-5-26-62-35-17-14-18-36(29-35)63-44-30-42-41(52(3)49(59)53(42)4)28-34(44)31-64(60,61)37-19-13-16-33(27-37)43(55)22-11-9-7-6-8-10-12-25-50-39-21-15-20-38-45(39)48(58)54(47(38)57)40-24-23-32(2)51-46(40)56;1-5-24-62-35-15-13-16-36(28-35)63-43-29-42-41(52(3)48(59)53(42)4)26-33(43)30-64(60,61)37-17-12-14-32(25-37)44(55)50-23-11-9-7-6-8-10-22-49-34-19-20-38-39(27-34)47(58)54(46(38)57)40-21-18-31(2)51-45(40)56/h14-16,18-19,21,33-38,50H,2,7-13,17,20,22-32,39-40H2,1,3-6H3,(H,61,68);17-22,30-35,46,56H,2,7-16,23-29,36H2,1,3-6H3,(H,57,63);16-18,20-21,28-34,46,55H,2,7-15,19,22-27,35H2,1,3-6H3,(H,56,62)(H,57,63);13-21,27-30,40,50H,2,5-12,22-26,31H2,1,3-4H3,(H,51,56);12-17,19-20,25-29,40,49H,2,5-11,18,21-24,30H2,1,3-4H3,(H,50,55)(H,51,56)
InChIKeyIZSFQAQOKYTNLF-UHFFFAOYSA-N
XLogP39.68
TPSA978.98 Ų
H-Bond Donors11
H-Bond Acceptors70
Rotatable Bonds129
Heavy Atoms353
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004930.96
LogP ≤ 539.68
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1070

Analyze 3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]-N-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]benzamide;4-[[10-[3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]phenyl]-10-oxodecyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[6-[2-[2-[5-[3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]phenyl]-5-oxopentoxy]ethoxy]ethoxy]-2-oxohexoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]-N-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]benzamide;4-[[10-[3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]phenyl]-10-oxodecyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]-N-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]benzamide;4-[[10-[3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]phenyl]-10-oxodecyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[6-[2-[2-[5-[3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]phenyl]-5-oxopentoxy]ethoxy]ethoxy]-2-oxohexoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]-N-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]benzamide;4-[[10-[3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]phenyl]-10-oxodecyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]-N-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]benzamide;4-[[10-[3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]phenyl]-10-oxodecyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[6-[2-[2-[5-[3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]phenyl]-5-oxopentoxy]ethoxy]ethoxy]-2-oxohexoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]-N-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]benzamide;4-[[10-[3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]phenyl]-10-oxodecyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione (CID 158853171) is 3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]-N-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]benzamide;4-[[10-[3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]phenyl]-10-oxodecyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[6-[2-[2-[5-[3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]phenyl]-5-oxopentoxy]ethoxy]ethoxy]-2-oxohexoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]-N-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]benzamide;4-[[10-[3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]phenyl]-10-oxodecyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]-N-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]benzamide;4-[[10-[3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]phenyl]-10-oxodecyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[6-[2-[2-[5-[3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]phenyl]-5-oxopentoxy]ethoxy]ethoxy]-2-oxohexoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]-N-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]benzamide;4-[[10-[3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]phenyl]-10-oxodecyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]-N-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]benzamide;4-[[10-[3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]phenyl]-10-oxodecyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[6-[2-[2-[5-[3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]phenyl]-5-oxopentoxy]ethoxy]ethoxy]-2-oxohexoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]-N-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]benzamide;4-[[10-[3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]phenyl]-10-oxodecyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione is C=C1CCC(N2C(=O)c3ccc(NCCCCCCCCNC(=O)c4cccc(S(=O)(=O)Cc5cc6c(cc5Oc5cc(OCCC)cc(OCCCCN(C)C)c5)n(C)c(=O)n6C)c4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(NCCCCCCCCNC(=O)c4cccc(S(=O)(=O)Cc5cc6c(cc5Oc5cccc(OCCC)c5)n(C)c(=O)n6C)c4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCCCCCCCCCC(=O)c4cccc(S(=O)(=O)Cc5cc6c(cc5Oc5cc(OCCC)cc(OCCCCN(C)C)c5)n(C)c(=O)n6C)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCCCCCCCCCC(=O)c4cccc(S(=O)(=O)Cc5cc6c(cc5Oc5cccc(OCCC)c5)n(C)c(=O)n6C)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCC(=O)CCCCOCCOCCOCCCCC(=O)c4cccc(S(=O)(=O)Cc5cc6c(cc5Oc5cc(OCCC)cc(OCCCCN(C)C)c5)n(C)c(=O)n6C)c4)c3C2=O)C(=O)N1.
What is the InChIKey of 3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]-N-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]benzamide;4-[[10-[3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]phenyl]-10-oxodecyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[6-[2-[2-[5-[3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]phenyl]-5-oxopentoxy]ethoxy]ethoxy]-2-oxohexoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]-N-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]benzamide;4-[[10-[3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]phenyl]-10-oxodecyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is IZSFQAQOKYTNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H75N5O15S.C55H68N6O10S.C54H67N7O10S.C49H55N5O9S.C48H54N6O9S/c1-7-25-77-45-35-46(78-28-13-10-24-62(3)4)37-47(36-45)80-55-38-52-51(63(5)60(71)64(52)6)34-43(55)40-81(72,73)48-18-14-16-42(33-48)53(67)20-9-12-27-75-30-32-76-31-29-74-26-11-8-17-44(66)39-79-54-21-15-19-49-56(54)59(70)65(58(49)69)50-23-22-41(2)61-57(50)68;1-7-28-69-40-32-41(70-29-16-15-27-58(3)4)34-42(33-40)71-50-35-48-47(59(5)55(66)60(48)6)31-39(50)36-72(67,68)43-20-17-19-38(30-43)49(62)23-13-11-9-8-10-12-14-26-56-45-22-18-21-44-51(45)54(65)61(53(44)64)46-25-24-37(2)57-52(46)63;1-7-26-69-40-31-41(70-27-15-14-25-58(3)4)33-42(32-40)71-49-34-48-47(59(5)54(66)60(48)6)29-38(49)35-72(67,68)43-18-16-17-37(28-43)50(62)56-24-13-11-9-8-10-12-23-55-39-20-21-44-45(30-39)53(65)61(52(44)64)46-22-19-36(2)57-51(46)63;1-5-26-62-35-17-14-18-36(29-35)63-44-30-42-41(52(3)49(59)53(42)4)28-34(44)31-64(60,61)37-19-13-16-33(27-37)43(55)22-11-9-7-6-8-10-12-25-50-39-21-15-20-38-45(39)48(58)54(47(38)57)40-24-23-32(2)51-46(40)56;1-5-24-62-35-15-13-16-36(28-35)63-43-29-42-41(52(3)48(59)53(42)4)26-33(43)30-64(60,61)37-17-12-14-32(25-37)44(55)50-23-11-9-7-6-8-10-22-49-34-19-20-38-39(27-34)47(58)54(46(38)57)40-21-18-31(2)51-45(40)56/h14-16,18-19,21,33-38,50H,2,7-13,17,20,22-32,39-40H2,1,3-6H3,(H,61,68);17-22,30-35,46,56H,2,7-16,23-29,36H2,1,3-6H3,(H,57,63);16-18,20-21,28-34,46,55H,2,7-15,19,22-27,35H2,1,3-6H3,(H,56,62)(H,57,63);13-21,27-30,40,50H,2,5-12,22-26,31H2,1,3-4H3,(H,51,56);12-17,19-20,25-29,40,49H,2,5-11,18,21-24,30H2,1,3-4H3,(H,50,55)(H,51,56).
What are the key properties of 3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]-N-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]benzamide;4-[[10-[3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]phenyl]-10-oxodecyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[6-[2-[2-[5-[3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]phenyl]-5-oxopentoxy]ethoxy]ethoxy]-2-oxohexoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]-N-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]benzamide;4-[[10-[3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]phenyl]-10-oxodecyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione?
3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]-N-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]benzamide;4-[[10-[3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]phenyl]-10-oxodecyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[6-[2-[2-[5-[3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]phenyl]-5-oxopentoxy]ethoxy]ethoxy]-2-oxohexoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]-N-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]benzamide;4-[[10-[3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]phenyl]-10-oxodecyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 4930.96 g/mol, XLogP of 39.68, 129 rotatable bonds, 11 hydrogen bond donors, and 70 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]-N-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]benzamide;4-[[10-[3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]phenyl]-10-oxodecyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[6-[2-[2-[5-[3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]phenyl]-5-oxopentoxy]ethoxy]ethoxy]-2-oxohexoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]-N-[8-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]benzamide;4-[[10-[3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]methylsulfonyl]phenyl]-10-oxodecyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 158853171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).