3-[6-[2-[4-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]ethyl]piperazin-1-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[6-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]hexoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[4-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]-1-methylpiperidine-2,6-dione;3-[7-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]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-[5-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]butanamide;methane;3-[6-[2-[3-[2-[4-[6-(methylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-[2-[3-[2-[4-pyridin-3-yl-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-1H-isoindol-2-yl]piperidine-2,6-dione

C314H295F18N41O42S8 — CID 167656354

IUPAC3-[6-[2-[4-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]ethyl]piperazin-1-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[6-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]hexoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[4-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]-1-methylpiperidine-2,6-dione;3-[7-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]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-[5-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]butanamide;methane;3-[6-[2-[3-[2-[4-[6-(methylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-[2-[3-[2-[4-pyridin-3-yl-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESC.CN(C)c1ccc(-c2ccc(-c3nc4ccc(CC(=O)CCOCCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)cc4s3)c(C(F)(F)F)c2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(CCCCCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)cc4s3)c(C(F)(F)F)c2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(CCCOCCOc5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)cc4s3)c(C(F)(F)F)c2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(OCCN5CCN(CCOc6ccc7c(c6)CN(C6CCC(=O)NC6=O)C7=O)CC5)cc4s3)cc2)cn1.CN1C(=O)CCC(N2Cc3cc(OCCOCCCc4ccc5nc(-c6ccc(-c7ccc(N(C)C)nc7)cc6C(F)(F)F)sc5c4)ccc3C2=O)C1=O.CNc1ccc(-c2ccc(-c3nc4ccc(CCCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)cc4s3)c(C(F)(F)F)c2)cn1.COc1ccc2nc(-c3ccc(-c4ccc(NC(=O)CCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)nc4)cc3)sc2c1.O=C1CCC(N2Cc3cc(OCCOCCCc4ccc5nc(-c6ccc(-c7cccnc7)cc6C(F)(F)F)sc5c4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C42H40F3N5O7S.C41H43N7O5S.C40H38F3N5O5S.C40H38F3N5O4S.C39H36F3N5O5S.C38H34F3N5O5S.C37H31F3N4O5S.C36H31N5O6S.CH4/c1-49(2)37-11-5-27(23-46-37)26-4-7-32(33(22-26)42(43,44)45)40-47-34-9-3-25(20-36(34)58-40)19-29(51)13-14-55-15-16-56-17-18-57-30-6-8-31-28(21-30)24-50(41(31)54)35-10-12-38(52)48-39(35)53;1-45(2)37-13-7-29(25-42-37)27-3-5-28(6-4-27)40-43-34-11-9-32(24-36(34)54-40)53-22-20-47-17-15-46(16-18-47)19-21-52-31-8-10-33-30(23-31)26-48(41(33)51)35-12-14-38(49)44-39(35)50;1-46(2)35-14-8-26(22-44-35)25-7-10-30(31(21-25)40(41,42)43)37-45-32-12-6-24(19-34(32)54-37)5-4-16-52-17-18-53-28-9-11-29-27(20-28)23-48(38(29)50)33-13-15-36(49)47(3)39(33)51;1-47(2)35-16-10-26(22-44-35)25-9-12-30(31(21-25)40(41,42)43)38-45-32-14-8-24(19-34(32)53-38)7-5-3-4-6-18-52-28-11-13-29-27(20-28)23-48(39(29)51)33-15-17-36(49)46-37(33)50;1-46(2)34-14-10-25(21-43-34)24-9-11-27(29(20-24)39(40,41)42)37-44-30-12-8-23(19-33(30)53-37)5-4-16-51-17-18-52-32-7-3-6-26-28(32)22-47(38(26)50)31-13-15-35(48)45-36(31)49;1-42-33-12-6-24(20-43-33)23-5-8-28(29(19-23)38(39,40)41)36-44-30-10-4-22(17-32(30)52-36)3-2-14-50-15-16-51-26-7-9-27-25(18-26)21-46(37(27)49)31-11-13-34(47)45-35(31)48;38-37(39,40)29-19-23(24-4-1-13-41-20-24)6-8-28(29)35-42-30-10-5-22(17-32(30)50-35)3-2-14-48-15-16-49-26-7-9-27-25(18-26)21-44(36(27)47)31-11-12-33(45)43-34(31)46;1-46-25-10-12-28-30(18-25)48-35(38-28)22-6-4-21(5-7-22)23-8-14-31(37-19-23)39-32(42)3-2-16-47-26-9-11-27-24(17-26)20-41(36(27)45)29-13-15-33(43)40-34(29)44;/h3-9,11,20-23,35H,10,12-19,24H2,1-2H3,(H,48,52,53);3-11,13,23-25,35H,12,14-22,26H2,1-2H3,(H,44,49,50);6-12,14,19-22,33H,4-5,13,15-18,23H2,1-3H3;8-14,16,19-22,33H,3-7,15,17-18,23H2,1-2H3,(H,46,49,50);3,6-12,14,19-21,31H,4-5,13,15-18,22H2,1-2H3,(H,45,48,49);4-10,12,17-20,31H,2-3,11,13-16,21H2,1H3,(H,42,43)(H,45,47,48);1,4-10,13,17-20,31H,2-3,11-12,14-16,21H2,(H,43,45,46);4-12,14,17-19,29H,2-3,13,15-16,20H2,1H3,(H,37,39,42)(H,40,43,44);1H4
InChIKeyRHVMSFHVAZSQJO-UHFFFAOYSA-N
MW5913.56 g/mol
LogP53.54
Rot. Bonds97

About 3-[6-[2-[4-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]ethyl]piperazin-1-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[6-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]hexoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[4-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]-1-methylpiperidine-2,6-dione;3-[7-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]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-[5-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]butanamide;methane;3-[6-[2-[3-[2-[4-[6-(methylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-[2-[3-[2-[4-pyridin-3-yl-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[2-[4-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]ethyl]piperazin-1-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[6-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]hexoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[4-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]-1-methylpiperidine-2,6-dione;3-[7-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]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-[5-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]butanamide;methane;3-[6-[2-[3-[2-[4-[6-(methylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-[2-[3-[2-[4-pyridin-3-yl-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167656354) has the molecular formula C314H295F18N41O42S8 and a molecular weight of 5913.56 g/mol. Its IUPAC name is 3-[6-[2-[4-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]ethyl]piperazin-1-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[6-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]hexoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[4-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]-1-methylpiperidine-2,6-dione;3-[7-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]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-[5-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]butanamide;methane;3-[6-[2-[3-[2-[4-[6-(methylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-[2-[3-[2-[4-pyridin-3-yl-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[2-[4-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]ethyl]piperazin-1-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[6-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]hexoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[4-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]-1-methylpiperidine-2,6-dione;3-[7-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]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-[5-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]butanamide;methane;3-[6-[2-[3-[2-[4-[6-(methylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-[2-[3-[2-[4-pyridin-3-yl-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID167656354
Molecular FormulaC314H295F18N41O42S8
Molecular Weight5913.56 g/mol
Exact Mass5908.97
IUPAC Name3-[6-[2-[4-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]ethyl]piperazin-1-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[6-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]hexoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[4-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]-1-methylpiperidine-2,6-dione;3-[7-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]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-[5-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]butanamide;methane;3-[6-[2-[3-[2-[4-[6-(methylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-[2-[3-[2-[4-pyridin-3-yl-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESC.CN(C)c1ccc(-c2ccc(-c3nc4ccc(CC(=O)CCOCCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)cc4s3)c(C(F)(F)F)c2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(CCCCCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)cc4s3)c(C(F)(F)F)c2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(CCCOCCOc5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)cc4s3)c(C(F)(F)F)c2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(OCCN5CCN(CCOc6ccc7c(c6)CN(C6CCC(=O)NC6=O)C7=O)CC5)cc4s3)cc2)cn1.CN1C(=O)CCC(N2Cc3cc(OCCOCCCc4ccc5nc(-c6ccc(-c7ccc(N(C)C)nc7)cc6C(F)(F)F)sc5c4)ccc3C2=O)C1=O.CNc1ccc(-c2ccc(-c3nc4ccc(CCCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)cc4s3)c(C(F)(F)F)c2)cn1.COc1ccc2nc(-c3ccc(-c4ccc(NC(=O)CCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)nc4)cc3)sc2c1.O=C1CCC(N2Cc3cc(OCCOCCCc4ccc5nc(-c6ccc(-c7cccnc7)cc6C(F)(F)F)sc5c4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C42H40F3N5O7S.C41H43N7O5S.C40H38F3N5O5S.C40H38F3N5O4S.C39H36F3N5O5S.C38H34F3N5O5S.C37H31F3N4O5S.C36H31N5O6S.CH4/c1-49(2)37-11-5-27(23-46-37)26-4-7-32(33(22-26)42(43,44)45)40-47-34-9-3-25(20-36(34)58-40)19-29(51)13-14-55-15-16-56-17-18-57-30-6-8-31-28(21-30)24-50(41(31)54)35-10-12-38(52)48-39(35)53;1-45(2)37-13-7-29(25-42-37)27-3-5-28(6-4-27)40-43-34-11-9-32(24-36(34)54-40)53-22-20-47-17-15-46(16-18-47)19-21-52-31-8-10-33-30(23-31)26-48(41(33)51)35-12-14-38(49)44-39(35)50;1-46(2)35-14-8-26(22-44-35)25-7-10-30(31(21-25)40(41,42)43)37-45-32-12-6-24(19-34(32)54-37)5-4-16-52-17-18-53-28-9-11-29-27(20-28)23-48(38(29)50)33-13-15-36(49)47(3)39(33)51;1-47(2)35-16-10-26(22-44-35)25-9-12-30(31(21-25)40(41,42)43)38-45-32-14-8-24(19-34(32)53-38)7-5-3-4-6-18-52-28-11-13-29-27(20-28)23-48(39(29)51)33-15-17-36(49)46-37(33)50;1-46(2)34-14-10-25(21-43-34)24-9-11-27(29(20-24)39(40,41)42)37-44-30-12-8-23(19-33(30)53-37)5-4-16-51-17-18-52-32-7-3-6-26-28(32)22-47(38(26)50)31-13-15-35(48)45-36(31)49;1-42-33-12-6-24(20-43-33)23-5-8-28(29(19-23)38(39,40)41)36-44-30-10-4-22(17-32(30)52-36)3-2-14-50-15-16-51-26-7-9-27-25(18-26)21-46(37(27)49)31-11-13-34(47)45-35(31)48;38-37(39,40)29-19-23(24-4-1-13-41-20-24)6-8-28(29)35-42-30-10-5-22(17-32(30)50-35)3-2-14-48-15-16-49-26-7-9-27-25(18-26)21-44(36(27)47)31-11-12-33(45)43-34(31)46;1-46-25-10-12-28-30(18-25)48-35(38-28)22-6-4-21(5-7-22)23-8-14-31(37-19-23)39-32(42)3-2-16-47-26-9-11-27-24(17-26)20-41(36(27)45)29-13-15-33(43)40-34(29)44;/h3-9,11,20-23,35H,10,12-19,24H2,1-2H3,(H,48,52,53);3-11,13,23-25,35H,12,14-22,26H2,1-2H3,(H,44,49,50);6-12,14,19-22,33H,4-5,13,15-18,23H2,1-3H3;8-14,16,19-22,33H,3-7,15,17-18,23H2,1-2H3,(H,46,49,50);3,6-12,14,19-21,31H,4-5,13,15-18,22H2,1-2H3,(H,45,48,49);4-10,12,17-20,31H,2-3,11,13-16,21H2,1H3,(H,42,43)(H,45,47,48);1,4-10,13,17-20,31H,2-3,11-12,14-16,21H2,(H,43,45,46);4-12,14,17-19,29H,2-3,13,15-16,20H2,1H3,(H,37,39,42)(H,40,43,44);1H4
InChIKeyRHVMSFHVAZSQJO-UHFFFAOYSA-N
XLogP53.54
TPSA957.85 Ų
H-Bond Donors9
H-Bond Acceptors74
Rotatable Bonds97
Heavy Atoms423
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005913.56
LogP ≤ 553.54
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1074

Analyze 3-[6-[2-[4-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]ethyl]piperazin-1-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[6-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]hexoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[4-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]-1-methylpiperidine-2,6-dione;3-[7-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]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-[5-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]butanamide;methane;3-[6-[2-[3-[2-[4-[6-(methylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-[2-[3-[2-[4-pyridin-3-yl-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-[4-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]ethyl]piperazin-1-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[6-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]hexoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[4-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]-1-methylpiperidine-2,6-dione;3-[7-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]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-[5-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]butanamide;methane;3-[6-[2-[3-[2-[4-[6-(methylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-[2-[3-[2-[4-pyridin-3-yl-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[2-[4-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]ethyl]piperazin-1-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[6-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]hexoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[4-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]-1-methylpiperidine-2,6-dione;3-[7-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]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-[5-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]butanamide;methane;3-[6-[2-[3-[2-[4-[6-(methylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-[2-[3-[2-[4-pyridin-3-yl-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167656354) is 3-[6-[2-[4-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]ethyl]piperazin-1-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[6-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]hexoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[4-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]-1-methylpiperidine-2,6-dione;3-[7-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]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-[5-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]butanamide;methane;3-[6-[2-[3-[2-[4-[6-(methylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-[2-[3-[2-[4-pyridin-3-yl-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[2-[4-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]ethyl]piperazin-1-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[6-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]hexoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[4-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]-1-methylpiperidine-2,6-dione;3-[7-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]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-[5-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]butanamide;methane;3-[6-[2-[3-[2-[4-[6-(methylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-[2-[3-[2-[4-pyridin-3-yl-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[2-[4-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]ethyl]piperazin-1-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[6-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]hexoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[4-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]-1-methylpiperidine-2,6-dione;3-[7-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]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-[5-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]butanamide;methane;3-[6-[2-[3-[2-[4-[6-(methylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-[2-[3-[2-[4-pyridin-3-yl-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-1H-isoindol-2-yl]piperidine-2,6-dione is C.CN(C)c1ccc(-c2ccc(-c3nc4ccc(CC(=O)CCOCCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)cc4s3)c(C(F)(F)F)c2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(CCCCCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)cc4s3)c(C(F)(F)F)c2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(CCCOCCOc5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)cc4s3)c(C(F)(F)F)c2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(OCCN5CCN(CCOc6ccc7c(c6)CN(C6CCC(=O)NC6=O)C7=O)CC5)cc4s3)cc2)cn1.CN1C(=O)CCC(N2Cc3cc(OCCOCCCc4ccc5nc(-c6ccc(-c7ccc(N(C)C)nc7)cc6C(F)(F)F)sc5c4)ccc3C2=O)C1=O.CNc1ccc(-c2ccc(-c3nc4ccc(CCCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)cc4s3)c(C(F)(F)F)c2)cn1.COc1ccc2nc(-c3ccc(-c4ccc(NC(=O)CCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)nc4)cc3)sc2c1.O=C1CCC(N2Cc3cc(OCCOCCCc4ccc5nc(-c6ccc(-c7cccnc7)cc6C(F)(F)F)sc5c4)ccc3C2=O)C(=O)N1.
What is the InChIKey of 3-[6-[2-[4-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]ethyl]piperazin-1-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[6-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]hexoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[4-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]-1-methylpiperidine-2,6-dione;3-[7-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]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-[5-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]butanamide;methane;3-[6-[2-[3-[2-[4-[6-(methylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-[2-[3-[2-[4-pyridin-3-yl-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is RHVMSFHVAZSQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H40F3N5O7S.C41H43N7O5S.C40H38F3N5O5S.C40H38F3N5O4S.C39H36F3N5O5S.C38H34F3N5O5S.C37H31F3N4O5S.C36H31N5O6S.CH4/c1-49(2)37-11-5-27(23-46-37)26-4-7-32(33(22-26)42(43,44)45)40-47-34-9-3-25(20-36(34)58-40)19-29(51)13-14-55-15-16-56-17-18-57-30-6-8-31-28(21-30)24-50(41(31)54)35-10-12-38(52)48-39(35)53;1-45(2)37-13-7-29(25-42-37)27-3-5-28(6-4-27)40-43-34-11-9-32(24-36(34)54-40)53-22-20-47-17-15-46(16-18-47)19-21-52-31-8-10-33-30(23-31)26-48(41(33)51)35-12-14-38(49)44-39(35)50;1-46(2)35-14-8-26(22-44-35)25-7-10-30(31(21-25)40(41,42)43)37-45-32-12-6-24(19-34(32)54-37)5-4-16-52-17-18-53-28-9-11-29-27(20-28)23-48(38(29)50)33-13-15-36(49)47(3)39(33)51;1-47(2)35-16-10-26(22-44-35)25-9-12-30(31(21-25)40(41,42)43)38-45-32-14-8-24(19-34(32)53-38)7-5-3-4-6-18-52-28-11-13-29-27(20-28)23-48(39(29)51)33-15-17-36(49)46-37(33)50;1-46(2)34-14-10-25(21-43-34)24-9-11-27(29(20-24)39(40,41)42)37-44-30-12-8-23(19-33(30)53-37)5-4-16-51-17-18-52-32-7-3-6-26-28(32)22-47(38(26)50)31-13-15-35(48)45-36(31)49;1-42-33-12-6-24(20-43-33)23-5-8-28(29(19-23)38(39,40)41)36-44-30-10-4-22(17-32(30)52-36)3-2-14-50-15-16-51-26-7-9-27-25(18-26)21-46(37(27)49)31-11-13-34(47)45-35(31)48;38-37(39,40)29-19-23(24-4-1-13-41-20-24)6-8-28(29)35-42-30-10-5-22(17-32(30)50-35)3-2-14-48-15-16-49-26-7-9-27-25(18-26)21-44(36(27)47)31-11-12-33(45)43-34(31)46;1-46-25-10-12-28-30(18-25)48-35(38-28)22-6-4-21(5-7-22)23-8-14-31(37-19-23)39-32(42)3-2-16-47-26-9-11-27-24(17-26)20-41(36(27)45)29-13-15-33(43)40-34(29)44;/h3-9,11,20-23,35H,10,12-19,24H2,1-2H3,(H,48,52,53);3-11,13,23-25,35H,12,14-22,26H2,1-2H3,(H,44,49,50);6-12,14,19-22,33H,4-5,13,15-18,23H2,1-3H3;8-14,16,19-22,33H,3-7,15,17-18,23H2,1-2H3,(H,46,49,50);3,6-12,14,19-21,31H,4-5,13,15-18,22H2,1-2H3,(H,45,48,49);4-10,12,17-20,31H,2-3,11,13-16,21H2,1H3,(H,42,43)(H,45,47,48);1,4-10,13,17-20,31H,2-3,11-12,14-16,21H2,(H,43,45,46);4-12,14,17-19,29H,2-3,13,15-16,20H2,1H3,(H,37,39,42)(H,40,43,44);1H4.
What are the key properties of 3-[6-[2-[4-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]ethyl]piperazin-1-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[6-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]hexoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[4-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]-1-methylpiperidine-2,6-dione;3-[7-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]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-[5-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]butanamide;methane;3-[6-[2-[3-[2-[4-[6-(methylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-[2-[3-[2-[4-pyridin-3-yl-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[6-[2-[4-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]ethyl]piperazin-1-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[6-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]hexoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[4-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]-1-methylpiperidine-2,6-dione;3-[7-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]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-[5-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]butanamide;methane;3-[6-[2-[3-[2-[4-[6-(methylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-[2-[3-[2-[4-pyridin-3-yl-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 5913.56 g/mol, XLogP of 53.54, 97 rotatable bonds, 9 hydrogen bond donors, and 74 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[2-[4-[2-[[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]oxy]ethyl]piperazin-1-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[6-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]hexoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[2-[4-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]-1-methylpiperidine-2,6-dione;3-[7-[2-[3-[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]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-[5-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-2-pyridinyl]butanamide;methane;3-[6-[2-[3-[2-[4-[6-(methylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-[2-[3-[2-[4-pyridin-3-yl-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propoxy]ethoxy]-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167656354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).