(2S,4R)-1-[2-[[2-[2-[2-[2-[2-[3-[5-[4-[6-(dimethylamino)-1,3-benzothiazol-2-yl]phenyl]-2-pyridinyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;3-[6-[2-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]ethyl]-1,3-benzothiazole-6-carboxamide;3-[6-[2-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[4-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]butanamide

C312H338F4N42O48S10 — CID 167649296

IUPAC(2S,4R)-1-[2-[[2-[2-[2-[2-[2-[3-[5-[4-[6-(dimethylamino)-1,3-benzothiazol-2-yl]phenyl]-2-pyridinyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;3-[6-[2-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]ethyl]-1,3-benzothiazole-6-carboxamide;3-[6-[2-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[4-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]butanamide
SMILESCN(C)c1ccc(-c2ccc(-c3nc4ccc(C(=O)NCCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)cc4s3)cc2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(CCCOCCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)cc4s3)c(C(F)(F)F)c2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(CCCOCCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)cc4s3)cc2)cn1.Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)C(NC(=O)COCCOCCOCCOCCOCCCc2ccc(-c3ccc(-c4nc5ccc(N(C)C)cc5s4)cc3)cn2)C(C)(C)C)cc1.Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCCc2ccc3nc(-c4ccc(-c5ccc(N(C)C)nc5)cc4)sc3c2)C(C)(C)C)cc1.Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOc2ccc3nc(-c4ccc(-c5ccc(N(C)C)nc5)cc4)sc3c2)C(C)(C)C)cc1.O=C1CCC(N2Cc3cc(OCCCC(=O)Nc4cc(-c5ccc(-c6nc7ccc(F)cc7s6)cc5)ccn4)ccc3C2=O)C(=O)N1
InChIInChI=1S/2C55H69N7O9S2.C48H55N7O7S2.C41H40F3N5O6S.C40H41N5O6S.C38H36N6O6S.C35H28FN5O5S/c1-37-50(72-36-58-37)41-12-9-39(10-13-41)32-57-52(65)46-31-44(63)34-62(46)54(66)51(55(2,3)4)60-49(64)35-71-29-28-70-27-26-69-25-24-68-23-22-67-21-7-8-38-11-19-45-47(30-38)73-53(59-45)42-16-14-40(15-17-42)43-18-20-48(56-33-43)61(5)6;1-37-50(72-36-58-37)40-11-9-38(10-12-40)32-57-52(65)47-31-45(63)34-62(47)54(66)51(55(2,3)4)60-49(64)35-71-29-28-70-27-26-69-25-24-68-23-22-67-21-7-8-43-18-17-42(33-56-43)39-13-15-41(16-14-39)53-59-46-20-19-44(61(5)6)30-48(46)73-53;1-30-43(63-29-51-30)33-9-7-31(8-10-33)25-50-45(58)39-23-36(56)27-55(39)47(59)44(48(2,3)4)53-42(57)28-61-20-19-60-21-22-62-37-16-17-38-40(24-37)64-46(52-38)34-13-11-32(12-14-34)35-15-18-41(49-26-35)54(5)6;1-48(2)36-13-7-27(23-45-36)26-6-9-31(32(22-26)41(42,43)44)39-46-33-11-5-25(20-35(33)56-39)4-3-15-53-16-17-54-18-19-55-29-8-10-30-28(21-29)24-49(40(30)52)34-12-14-37(50)47-38(34)51;1-44(2)36-15-10-29(24-41-36)27-6-8-28(9-7-27)39-42-33-13-5-26(22-35(33)52-39)4-3-17-49-18-19-50-20-21-51-31-11-12-32-30(23-31)25-45(40(32)48)34-14-16-37(46)43-38(34)47;1-43(2)33-13-8-26(21-40-33)23-3-5-24(6-4-23)37-41-30-11-7-25(20-32(30)51-37)35(46)39-15-16-49-17-18-50-28-9-10-29-27(19-28)22-44(38(29)48)31-12-14-34(45)42-36(31)47;36-24-7-10-27-29(18-24)47-34(38-27)21-5-3-20(4-6-21)22-13-14-37-30(17-22)39-31(42)2-1-15-46-25-8-9-26-23(16-25)19-41(35(26)45)28-11-12-32(43)40-33(28)44/h9-20,30,33,36,44,46,51,63H,7-8,21-29,31-32,34-35H2,1-6H3,(H,57,65)(H,60,64);9-20,30,33,36,45,47,51,63H,7-8,21-29,31-32,34-35H2,1-6H3,(H,57,65)(H,60,64);7-18,24,26,29,36,39,44,56H,19-23,25,27-28H2,1-6H3,(H,50,58)(H,53,57);5-11,13,20-23,34H,3-4,12,14-19,24H2,1-2H3,(H,47,50,51);5-13,15,22-24,34H,3-4,14,16-21,25H2,1-2H3,(H,43,46,47);3-11,13,19-21,31H,12,14-18,22H2,1-2H3,(H,39,46)(H,42,45,47);3-10,13-14,16-18,28H,1-2,11-12,15,19H2,(H,37,39,42)(H,40,43,44)/t44-,46+,51-;45-,47+,51?;36-,39+,44-;;;;/m111..../s1
InChIKeyQIMMQGSDAURXSW-VTNKTJJBSA-N
MW5841.04 g/mol
LogP44.65
Rot. Bonds123

About (2S,4R)-1-[2-[[2-[2-[2-[2-[2-[3-[5-[4-[6-(dimethylamino)-1,3-benzothiazol-2-yl]phenyl]-2-pyridinyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;3-[6-[2-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]ethyl]-1,3-benzothiazole-6-carboxamide;3-[6-[2-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[4-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]butanamide

(2S,4R)-1-[2-[[2-[2-[2-[2-[2-[3-[5-[4-[6-(dimethylamino)-1,3-benzothiazol-2-yl]phenyl]-2-pyridinyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;3-[6-[2-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]ethyl]-1,3-benzothiazole-6-carboxamide;3-[6-[2-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[4-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]butanamide (PubChem CID 167649296) has the molecular formula C312H338F4N42O48S10 and a molecular weight of 5841.04 g/mol. Its IUPAC name is (2S,4R)-1-[2-[[2-[2-[2-[2-[2-[3-[5-[4-[6-(dimethylamino)-1,3-benzothiazol-2-yl]phenyl]-2-pyridinyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;3-[6-[2-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]ethyl]-1,3-benzothiazole-6-carboxamide;3-[6-[2-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[4-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]butanamide.

Molecular Properties

Compound Name(2S,4R)-1-[2-[[2-[2-[2-[2-[2-[3-[5-[4-[6-(dimethylamino)-1,3-benzothiazol-2-yl]phenyl]-2-pyridinyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;3-[6-[2-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]ethyl]-1,3-benzothiazole-6-carboxamide;3-[6-[2-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[4-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]butanamide
PubChem CID167649296
Molecular FormulaC312H338F4N42O48S10
Molecular Weight5841.04 g/mol
Exact Mass5836.24
IUPAC Name(2S,4R)-1-[2-[[2-[2-[2-[2-[2-[3-[5-[4-[6-(dimethylamino)-1,3-benzothiazol-2-yl]phenyl]-2-pyridinyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;3-[6-[2-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]ethyl]-1,3-benzothiazole-6-carboxamide;3-[6-[2-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[4-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]butanamide
SMILESCN(C)c1ccc(-c2ccc(-c3nc4ccc(C(=O)NCCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)cc4s3)cc2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(CCCOCCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)cc4s3)c(C(F)(F)F)c2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(CCCOCCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)cc4s3)cc2)cn1.Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)C(NC(=O)COCCOCCOCCOCCOCCCc2ccc(-c3ccc(-c4nc5ccc(N(C)C)cc5s4)cc3)cn2)C(C)(C)C)cc1.Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCCc2ccc3nc(-c4ccc(-c5ccc(N(C)C)nc5)cc4)sc3c2)C(C)(C)C)cc1.Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOc2ccc3nc(-c4ccc(-c5ccc(N(C)C)nc5)cc4)sc3c2)C(C)(C)C)cc1.O=C1CCC(N2Cc3cc(OCCCC(=O)Nc4cc(-c5ccc(-c6nc7ccc(F)cc7s6)cc5)ccn4)ccc3C2=O)C(=O)N1
InChIInChI=1S/2C55H69N7O9S2.C48H55N7O7S2.C41H40F3N5O6S.C40H41N5O6S.C38H36N6O6S.C35H28FN5O5S/c1-37-50(72-36-58-37)41-12-9-39(10-13-41)32-57-52(65)46-31-44(63)34-62(46)54(66)51(55(2,3)4)60-49(64)35-71-29-28-70-27-26-69-25-24-68-23-22-67-21-7-8-38-11-19-45-47(30-38)73-53(59-45)42-16-14-40(15-17-42)43-18-20-48(56-33-43)61(5)6;1-37-50(72-36-58-37)40-11-9-38(10-12-40)32-57-52(65)47-31-45(63)34-62(47)54(66)51(55(2,3)4)60-49(64)35-71-29-28-70-27-26-69-25-24-68-23-22-67-21-7-8-43-18-17-42(33-56-43)39-13-15-41(16-14-39)53-59-46-20-19-44(61(5)6)30-48(46)73-53;1-30-43(63-29-51-30)33-9-7-31(8-10-33)25-50-45(58)39-23-36(56)27-55(39)47(59)44(48(2,3)4)53-42(57)28-61-20-19-60-21-22-62-37-16-17-38-40(24-37)64-46(52-38)34-13-11-32(12-14-34)35-15-18-41(49-26-35)54(5)6;1-48(2)36-13-7-27(23-45-36)26-6-9-31(32(22-26)41(42,43)44)39-46-33-11-5-25(20-35(33)56-39)4-3-15-53-16-17-54-18-19-55-29-8-10-30-28(21-29)24-49(40(30)52)34-12-14-37(50)47-38(34)51;1-44(2)36-15-10-29(24-41-36)27-6-8-28(9-7-27)39-42-33-13-5-26(22-35(33)52-39)4-3-17-49-18-19-50-20-21-51-31-11-12-32-30(23-31)25-45(40(32)48)34-14-16-37(46)43-38(34)47;1-43(2)33-13-8-26(21-40-33)23-3-5-24(6-4-23)37-41-30-11-7-25(20-32(30)51-37)35(46)39-15-16-49-17-18-50-28-9-10-29-27(19-28)22-44(38(29)48)31-12-14-34(45)42-36(31)47;36-24-7-10-27-29(18-24)47-34(38-27)21-5-3-20(4-6-21)22-13-14-37-30(17-22)39-31(42)2-1-15-46-25-8-9-26-23(16-25)19-41(35(26)45)28-11-12-32(43)40-33(28)44/h9-20,30,33,36,44,46,51,63H,7-8,21-29,31-32,34-35H2,1-6H3,(H,57,65)(H,60,64);9-20,30,33,36,45,47,51,63H,7-8,21-29,31-32,34-35H2,1-6H3,(H,57,65)(H,60,64);7-18,24,26,29,36,39,44,56H,19-23,25,27-28H2,1-6H3,(H,50,58)(H,53,57);5-11,13,20-23,34H,3-4,12,14-19,24H2,1-2H3,(H,47,50,51);5-13,15,22-24,34H,3-4,14,16-21,25H2,1-2H3,(H,43,46,47);3-11,13,19-21,31H,12,14-18,22H2,1-2H3,(H,39,46)(H,42,45,47);3-10,13-14,16-18,28H,1-2,11-12,15,19H2,(H,37,39,42)(H,40,43,44)/t44-,46+,51-;45-,47+,51?;36-,39+,44-;;;;/m111..../s1
InChIKeyQIMMQGSDAURXSW-VTNKTJJBSA-N
XLogP44.65
TPSA1061.97 Ų
H-Bond Donors15
H-Bond Acceptors81
Rotatable Bonds123
Heavy Atoms416
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005841.04
LogP ≤ 544.65
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1081

Analyze (2S,4R)-1-[2-[[2-[2-[2-[2-[2-[3-[5-[4-[6-(dimethylamino)-1,3-benzothiazol-2-yl]phenyl]-2-pyridinyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;3-[6-[2-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]ethyl]-1,3-benzothiazole-6-carboxamide;3-[6-[2-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[4-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]butanamide with MolForge

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Related Compounds

CID 156386801
CID 156386801
CID 167579684
CID 167579684
CID 167585259
CID 167585259
CID 167589876
CID 167589876
CID 167608849
CID 167608849
CID 167628010
CID 167628010
CID 167630956
CID 167630956
CID 167636118
CID 167636118
CID 167639536
CID 167639536
CID 167656354
CID 167656354
CID 167668770
CID 167668770
CID 167669142
CID 167669142

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[2-[[2-[2-[2-[2-[2-[3-[5-[4-[6-(dimethylamino)-1,3-benzothiazol-2-yl]phenyl]-2-pyridinyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;3-[6-[2-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]ethyl]-1,3-benzothiazole-6-carboxamide;3-[6-[2-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[4-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]butanamide?
The IUPAC name of (2S,4R)-1-[2-[[2-[2-[2-[2-[2-[3-[5-[4-[6-(dimethylamino)-1,3-benzothiazol-2-yl]phenyl]-2-pyridinyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;3-[6-[2-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]ethyl]-1,3-benzothiazole-6-carboxamide;3-[6-[2-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[4-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]butanamide (CID 167649296) is (2S,4R)-1-[2-[[2-[2-[2-[2-[2-[3-[5-[4-[6-(dimethylamino)-1,3-benzothiazol-2-yl]phenyl]-2-pyridinyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;3-[6-[2-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]ethyl]-1,3-benzothiazole-6-carboxamide;3-[6-[2-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[4-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]butanamide.
What is the SMILES notation for (2S,4R)-1-[2-[[2-[2-[2-[2-[2-[3-[5-[4-[6-(dimethylamino)-1,3-benzothiazol-2-yl]phenyl]-2-pyridinyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;3-[6-[2-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]ethyl]-1,3-benzothiazole-6-carboxamide;3-[6-[2-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[4-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]butanamide?
The canonical SMILES for (2S,4R)-1-[2-[[2-[2-[2-[2-[2-[3-[5-[4-[6-(dimethylamino)-1,3-benzothiazol-2-yl]phenyl]-2-pyridinyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;3-[6-[2-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]ethyl]-1,3-benzothiazole-6-carboxamide;3-[6-[2-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[4-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]butanamide is CN(C)c1ccc(-c2ccc(-c3nc4ccc(C(=O)NCCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)cc4s3)cc2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(CCCOCCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)cc4s3)c(C(F)(F)F)c2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(CCCOCCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)cc4s3)cc2)cn1.Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)C(NC(=O)COCCOCCOCCOCCOCCCc2ccc(-c3ccc(-c4nc5ccc(N(C)C)cc5s4)cc3)cn2)C(C)(C)C)cc1.Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCCc2ccc3nc(-c4ccc(-c5ccc(N(C)C)nc5)cc4)sc3c2)C(C)(C)C)cc1.Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOc2ccc3nc(-c4ccc(-c5ccc(N(C)C)nc5)cc4)sc3c2)C(C)(C)C)cc1.O=C1CCC(N2Cc3cc(OCCCC(=O)Nc4cc(-c5ccc(-c6nc7ccc(F)cc7s6)cc5)ccn4)ccc3C2=O)C(=O)N1.
What is the InChIKey of (2S,4R)-1-[2-[[2-[2-[2-[2-[2-[3-[5-[4-[6-(dimethylamino)-1,3-benzothiazol-2-yl]phenyl]-2-pyridinyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;3-[6-[2-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]ethyl]-1,3-benzothiazole-6-carboxamide;3-[6-[2-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[4-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]butanamide?
The InChIKey is QIMMQGSDAURXSW-VTNKTJJBSA-N. The full InChI is InChI=1S/2C55H69N7O9S2.C48H55N7O7S2.C41H40F3N5O6S.C40H41N5O6S.C38H36N6O6S.C35H28FN5O5S/c1-37-50(72-36-58-37)41-12-9-39(10-13-41)32-57-52(65)46-31-44(63)34-62(46)54(66)51(55(2,3)4)60-49(64)35-71-29-28-70-27-26-69-25-24-68-23-22-67-21-7-8-38-11-19-45-47(30-38)73-53(59-45)42-16-14-40(15-17-42)43-18-20-48(56-33-43)61(5)6;1-37-50(72-36-58-37)40-11-9-38(10-12-40)32-57-52(65)47-31-45(63)34-62(47)54(66)51(55(2,3)4)60-49(64)35-71-29-28-70-27-26-69-25-24-68-23-22-67-21-7-8-43-18-17-42(33-56-43)39-13-15-41(16-14-39)53-59-46-20-19-44(61(5)6)30-48(46)73-53;1-30-43(63-29-51-30)33-9-7-31(8-10-33)25-50-45(58)39-23-36(56)27-55(39)47(59)44(48(2,3)4)53-42(57)28-61-20-19-60-21-22-62-37-16-17-38-40(24-37)64-46(52-38)34-13-11-32(12-14-34)35-15-18-41(49-26-35)54(5)6;1-48(2)36-13-7-27(23-45-36)26-6-9-31(32(22-26)41(42,43)44)39-46-33-11-5-25(20-35(33)56-39)4-3-15-53-16-17-54-18-19-55-29-8-10-30-28(21-29)24-49(40(30)52)34-12-14-37(50)47-38(34)51;1-44(2)36-15-10-29(24-41-36)27-6-8-28(9-7-27)39-42-33-13-5-26(22-35(33)52-39)4-3-17-49-18-19-50-20-21-51-31-11-12-32-30(23-31)25-45(40(32)48)34-14-16-37(46)43-38(34)47;1-43(2)33-13-8-26(21-40-33)23-3-5-24(6-4-23)37-41-30-11-7-25(20-32(30)51-37)35(46)39-15-16-49-17-18-50-28-9-10-29-27(19-28)22-44(38(29)48)31-12-14-34(45)42-36(31)47;36-24-7-10-27-29(18-24)47-34(38-27)21-5-3-20(4-6-21)22-13-14-37-30(17-22)39-31(42)2-1-15-46-25-8-9-26-23(16-25)19-41(35(26)45)28-11-12-32(43)40-33(28)44/h9-20,30,33,36,44,46,51,63H,7-8,21-29,31-32,34-35H2,1-6H3,(H,57,65)(H,60,64);9-20,30,33,36,45,47,51,63H,7-8,21-29,31-32,34-35H2,1-6H3,(H,57,65)(H,60,64);7-18,24,26,29,36,39,44,56H,19-23,25,27-28H2,1-6H3,(H,50,58)(H,53,57);5-11,13,20-23,34H,3-4,12,14-19,24H2,1-2H3,(H,47,50,51);5-13,15,22-24,34H,3-4,14,16-21,25H2,1-2H3,(H,43,46,47);3-11,13,19-21,31H,12,14-18,22H2,1-2H3,(H,39,46)(H,42,45,47);3-10,13-14,16-18,28H,1-2,11-12,15,19H2,(H,37,39,42)(H,40,43,44)/t44-,46+,51-;45-,47+,51?;36-,39+,44-;;;;/m111..../s1.
What are the key properties of (2S,4R)-1-[2-[[2-[2-[2-[2-[2-[3-[5-[4-[6-(dimethylamino)-1,3-benzothiazol-2-yl]phenyl]-2-pyridinyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;3-[6-[2-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]ethyl]-1,3-benzothiazole-6-carboxamide;3-[6-[2-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[4-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]butanamide?
(2S,4R)-1-[2-[[2-[2-[2-[2-[2-[3-[5-[4-[6-(dimethylamino)-1,3-benzothiazol-2-yl]phenyl]-2-pyridinyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;3-[6-[2-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]ethyl]-1,3-benzothiazole-6-carboxamide;3-[6-[2-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[4-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]butanamide has a molecular weight of 5841.04 g/mol, XLogP of 44.65, 123 rotatable bonds, 15 hydrogen bond donors, and 81 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-[2-[[2-[2-[2-[2-[2-[3-[5-[4-[6-(dimethylamino)-1,3-benzothiazol-2-yl]phenyl]-2-pyridinyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[2-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;3-[6-[2-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]ethyl]-1,3-benzothiazole-6-carboxamide;3-[6-[2-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[4-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]butanamide is sourced from PubChem (CID 167649296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).