5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-N-[2-[2-[9-[2-[2-[4-[5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethylcarbamoylamino]-4-oxononoxy]ethoxy]ethyl]pyridine-2-carboxamide;1-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]imidazol-1-yl]ethoxy]ethoxy]ethyl]-3-[9-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]imidazol-1-yl]ethoxy]ethoxy]-6-oxononyl]urea;1-[2-[2-[2-[2-[[6-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrimidin-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]-3-[4-[5-[2-[2-[3-[6-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrimidin-4-yl]propoxy]ethoxy]ethoxy]-2-oxopentyl]phenyl]urea;1-[2-[2-[2-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-[9-[2-[2-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-6-oxononyl]urea

C258H314Cl16N34O34 — CID 158869643

IUPAC5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-N-[2-[2-[9-[2-[2-[4-[5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethylcarbamoylamino]-4-oxononoxy]ethoxy]ethyl]pyridine-2-carboxamide;1-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]imidazol-1-yl]ethoxy]ethoxy]ethyl]-3-[9-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]imidazol-1-yl]ethoxy]ethoxy]-6-oxononyl]urea;1-[2-[2-[2-[2-[[6-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrimidin-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]-3-[4-[5-[2-[2-[3-[6-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrimidin-4-yl]propoxy]ethoxy]ethoxy]-2-oxopentyl]phenyl]urea;1-[2-[2-[2-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-[9-[2-[2-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-6-oxononyl]urea
SMILESCN1Cc2c(Cl)cc(Cl)cc2[C@H](c2cccc(-c3cc(CCCOCCOCCOCCCC(=O)Cc4ccc(NC(=O)NCCOCCOCCOCCNc5cc(-c6cccc([C@@H]7CN(C)Cc8c(Cl)cc(Cl)cc87)c6)ncn5)cc4)ncn3)c2)C1.CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2cccc(-c3ccc(C(=O)CCCOCCOCCNC(=O)NCCCCCC(=O)CCCOCCOCCNC(=O)c4ccc(-c5cccc([C@@H]6CN(C)Cc7c(Cl)cc(Cl)cc76)c5)cn4)nc3)c2)C1.CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2cccc(-c3cn(CCOCCOCCCC(=O)CCCCCNC(=O)NCCOCCOCCn4cnc(-c5cccc([C@@H]6CN(C)Cc7c(Cl)cc(Cl)cc76)c5)c4)cn3)c2)C1.CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2cccc(-c3cn(CCOCCOCCOCCOCCOCCCC(=O)CCCCCNC(=O)NCCOCCOCCOCCOCCOCCn4cc(-c5cccc([C@@H]6CN(C)Cc7c(Cl)cc(Cl)cc76)c5)nn4)nn3)c2)C1
InChIInChI=1S/C68H92Cl4N10O12.C67H77Cl4N9O8.C65H75Cl4N7O8.C58H70Cl4N8O6/c1-79-45-60(58-41-55(69)43-64(71)62(58)47-79)51-9-6-11-53(39-51)66-49-81(77-75-66)17-21-87-25-29-91-33-37-93-35-31-89-27-23-85-19-8-14-57(83)13-4-3-5-15-73-68(84)74-16-20-86-24-28-90-32-36-94-38-34-92-30-26-88-22-18-82-50-67(76-78-82)54-12-7-10-52(40-54)61-46-80(2)48-63-59(61)42-56(70)44-65(63)72;1-79-40-58(56-34-51(68)36-62(70)60(56)42-79)47-7-3-9-49(32-47)64-38-54(74-44-75-64)11-5-19-83-23-27-87-28-24-84-20-6-12-55(81)31-46-13-15-53(16-14-46)78-67(82)73-18-22-86-26-30-88-29-25-85-21-17-72-66-39-65(76-45-77-66)50-10-4-8-48(33-50)59-41-80(2)43-61-57(59)35-52(69)37-63(61)71;1-75-40-55(53-34-50(66)36-59(68)57(53)42-75)46-12-6-10-44(32-46)48-17-19-61(73-38-48)63(78)16-9-25-82-29-31-84-27-23-72-65(80)71-21-5-3-4-14-52(77)15-8-24-81-28-30-83-26-22-70-64(79)62-20-18-49(39-74-62)45-11-7-13-47(33-45)56-41-76(2)43-58-54(56)35-51(67)37-60(58)69;1-67-33-50(48-29-45(59)31-54(61)52(48)35-67)41-9-6-11-43(27-41)56-37-69(39-65-56)17-21-75-25-23-73-19-8-14-47(71)13-4-3-5-15-63-58(72)64-16-20-74-24-26-76-22-18-70-38-57(66-40-70)44-12-7-10-42(28-44)51-34-68(2)36-53-49(51)30-46(60)32-55(53)62/h6-7,9-12,39-44,49-50,60-61H,3-5,8,13-38,45-48H2,1-2H3,(H2,73,74,84);3-4,7-10,13-16,32-39,44-45,58-59H,5-6,11-12,17-31,40-43H2,1-2H3,(H,72,76,77)(H2,73,78,82);6-7,10-13,17-20,32-39,55-56H,3-5,8-9,14-16,21-31,40-43H2,1-2H3,(H,70,79)(H2,71,72,80);6-7,9-12,27-32,37-40,50-51H,3-5,8,13-26,33-36H2,1-2H3,(H2,63,64,72)/t60-,61-;58-,59-;55-,56-;50-,51-/m0000/s1
InChIKeyJBRKLGLYKLORNY-CVYOOKMQSA-N
MW5002.80 g/mol
LogP45.68
Rot. Bonds142

About 5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-N-[2-[2-[9-[2-[2-[4-[5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethylcarbamoylamino]-4-oxononoxy]ethoxy]ethyl]pyridine-2-carboxamide;1-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]imidazol-1-yl]ethoxy]ethoxy]ethyl]-3-[9-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]imidazol-1-yl]ethoxy]ethoxy]-6-oxononyl]urea;1-[2-[2-[2-[2-[[6-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrimidin-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]-3-[4-[5-[2-[2-[3-[6-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrimidin-4-yl]propoxy]ethoxy]ethoxy]-2-oxopentyl]phenyl]urea;1-[2-[2-[2-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-[9-[2-[2-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-6-oxononyl]urea

5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-N-[2-[2-[9-[2-[2-[4-[5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethylcarbamoylamino]-4-oxononoxy]ethoxy]ethyl]pyridine-2-carboxamide;1-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]imidazol-1-yl]ethoxy]ethoxy]ethyl]-3-[9-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]imidazol-1-yl]ethoxy]ethoxy]-6-oxononyl]urea;1-[2-[2-[2-[2-[[6-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrimidin-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]-3-[4-[5-[2-[2-[3-[6-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrimidin-4-yl]propoxy]ethoxy]ethoxy]-2-oxopentyl]phenyl]urea;1-[2-[2-[2-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-[9-[2-[2-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-6-oxononyl]urea (PubChem CID 158869643) has the molecular formula C258H314Cl16N34O34 and a molecular weight of 5002.80 g/mol. Its IUPAC name is 5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-N-[2-[2-[9-[2-[2-[4-[5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethylcarbamoylamino]-4-oxononoxy]ethoxy]ethyl]pyridine-2-carboxamide;1-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]imidazol-1-yl]ethoxy]ethoxy]ethyl]-3-[9-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]imidazol-1-yl]ethoxy]ethoxy]-6-oxononyl]urea;1-[2-[2-[2-[2-[[6-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrimidin-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]-3-[4-[5-[2-[2-[3-[6-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrimidin-4-yl]propoxy]ethoxy]ethoxy]-2-oxopentyl]phenyl]urea;1-[2-[2-[2-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-[9-[2-[2-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-6-oxononyl]urea.

Molecular Properties

Compound Name5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-N-[2-[2-[9-[2-[2-[4-[5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethylcarbamoylamino]-4-oxononoxy]ethoxy]ethyl]pyridine-2-carboxamide;1-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]imidazol-1-yl]ethoxy]ethoxy]ethyl]-3-[9-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]imidazol-1-yl]ethoxy]ethoxy]-6-oxononyl]urea;1-[2-[2-[2-[2-[[6-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrimidin-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]-3-[4-[5-[2-[2-[3-[6-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrimidin-4-yl]propoxy]ethoxy]ethoxy]-2-oxopentyl]phenyl]urea;1-[2-[2-[2-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-[9-[2-[2-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-6-oxononyl]urea
PubChem CID158869643
Molecular FormulaC258H314Cl16N34O34
Molecular Weight5002.80 g/mol
Exact Mass4991.89
IUPAC Name5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-N-[2-[2-[9-[2-[2-[4-[5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethylcarbamoylamino]-4-oxononoxy]ethoxy]ethyl]pyridine-2-carboxamide;1-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]imidazol-1-yl]ethoxy]ethoxy]ethyl]-3-[9-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]imidazol-1-yl]ethoxy]ethoxy]-6-oxononyl]urea;1-[2-[2-[2-[2-[[6-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrimidin-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]-3-[4-[5-[2-[2-[3-[6-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrimidin-4-yl]propoxy]ethoxy]ethoxy]-2-oxopentyl]phenyl]urea;1-[2-[2-[2-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-[9-[2-[2-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-6-oxononyl]urea
SMILESCN1Cc2c(Cl)cc(Cl)cc2[C@H](c2cccc(-c3cc(CCCOCCOCCOCCCC(=O)Cc4ccc(NC(=O)NCCOCCOCCOCCNc5cc(-c6cccc([C@@H]7CN(C)Cc8c(Cl)cc(Cl)cc87)c6)ncn5)cc4)ncn3)c2)C1.CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2cccc(-c3ccc(C(=O)CCCOCCOCCNC(=O)NCCCCCC(=O)CCCOCCOCCNC(=O)c4ccc(-c5cccc([C@@H]6CN(C)Cc7c(Cl)cc(Cl)cc76)c5)cn4)nc3)c2)C1.CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2cccc(-c3cn(CCOCCOCCCC(=O)CCCCCNC(=O)NCCOCCOCCn4cnc(-c5cccc([C@@H]6CN(C)Cc7c(Cl)cc(Cl)cc76)c5)c4)cn3)c2)C1.CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2cccc(-c3cn(CCOCCOCCOCCOCCOCCCC(=O)CCCCCNC(=O)NCCOCCOCCOCCOCCOCCn4cc(-c5cccc([C@@H]6CN(C)Cc7c(Cl)cc(Cl)cc76)c5)nn4)nn3)c2)C1
InChIInChI=1S/C68H92Cl4N10O12.C67H77Cl4N9O8.C65H75Cl4N7O8.C58H70Cl4N8O6/c1-79-45-60(58-41-55(69)43-64(71)62(58)47-79)51-9-6-11-53(39-51)66-49-81(77-75-66)17-21-87-25-29-91-33-37-93-35-31-89-27-23-85-19-8-14-57(83)13-4-3-5-15-73-68(84)74-16-20-86-24-28-90-32-36-94-38-34-92-30-26-88-22-18-82-50-67(76-78-82)54-12-7-10-52(40-54)61-46-80(2)48-63-59(61)42-56(70)44-65(63)72;1-79-40-58(56-34-51(68)36-62(70)60(56)42-79)47-7-3-9-49(32-47)64-38-54(74-44-75-64)11-5-19-83-23-27-87-28-24-84-20-6-12-55(81)31-46-13-15-53(16-14-46)78-67(82)73-18-22-86-26-30-88-29-25-85-21-17-72-66-39-65(76-45-77-66)50-10-4-8-48(33-50)59-41-80(2)43-61-57(59)35-52(69)37-63(61)71;1-75-40-55(53-34-50(66)36-59(68)57(53)42-75)46-12-6-10-44(32-46)48-17-19-61(73-38-48)63(78)16-9-25-82-29-31-84-27-23-72-65(80)71-21-5-3-4-14-52(77)15-8-24-81-28-30-83-26-22-70-64(79)62-20-18-49(39-74-62)45-11-7-13-47(33-45)56-41-76(2)43-58-54(56)35-51(67)37-60(58)69;1-67-33-50(48-29-45(59)31-54(61)52(48)35-67)41-9-6-11-43(27-41)56-37-69(39-65-56)17-21-75-25-23-73-19-8-14-47(71)13-4-3-5-15-63-58(72)64-16-20-74-24-26-76-22-18-70-38-57(66-40-70)44-12-7-10-42(28-44)51-34-68(2)36-53-49(51)30-46(60)32-55(53)62/h6-7,9-12,39-44,49-50,60-61H,3-5,8,13-38,45-48H2,1-2H3,(H2,73,74,84);3-4,7-10,13-16,32-39,44-45,58-59H,5-6,11-12,17-31,40-43H2,1-2H3,(H,72,76,77)(H2,73,78,82);6-7,10-13,17-20,32-39,55-56H,3-5,8-9,14-16,21-31,40-43H2,1-2H3,(H,70,79)(H2,71,72,80);6-7,9-12,27-32,37-40,50-51H,3-5,8,13-26,33-36H2,1-2H3,(H2,63,64,72)/t60-,61-;58-,59-;55-,56-;50-,51-/m0000/s1
InChIKeyJBRKLGLYKLORNY-CVYOOKMQSA-N
XLogP45.68
TPSA712.84 Ų
H-Bond Donors10
H-Bond Acceptors59
Rotatable Bonds142
Heavy Atoms342
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005002.80
LogP ≤ 545.68
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1059

Analyze 5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-N-[2-[2-[9-[2-[2-[4-[5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethylcarbamoylamino]-4-oxononoxy]ethoxy]ethyl]pyridine-2-carboxamide;1-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]imidazol-1-yl]ethoxy]ethoxy]ethyl]-3-[9-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]imidazol-1-yl]ethoxy]ethoxy]-6-oxononyl]urea;1-[2-[2-[2-[2-[[6-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrimidin-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]-3-[4-[5-[2-[2-[3-[6-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrimidin-4-yl]propoxy]ethoxy]ethoxy]-2-oxopentyl]phenyl]urea;1-[2-[2-[2-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-[9-[2-[2-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-6-oxononyl]urea with MolForge

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What is the IUPAC name of 5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-N-[2-[2-[9-[2-[2-[4-[5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethylcarbamoylamino]-4-oxononoxy]ethoxy]ethyl]pyridine-2-carboxamide;1-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]imidazol-1-yl]ethoxy]ethoxy]ethyl]-3-[9-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]imidazol-1-yl]ethoxy]ethoxy]-6-oxononyl]urea;1-[2-[2-[2-[2-[[6-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrimidin-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]-3-[4-[5-[2-[2-[3-[6-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrimidin-4-yl]propoxy]ethoxy]ethoxy]-2-oxopentyl]phenyl]urea;1-[2-[2-[2-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-[9-[2-[2-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-6-oxononyl]urea?
The IUPAC name of 5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-N-[2-[2-[9-[2-[2-[4-[5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethylcarbamoylamino]-4-oxononoxy]ethoxy]ethyl]pyridine-2-carboxamide;1-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]imidazol-1-yl]ethoxy]ethoxy]ethyl]-3-[9-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]imidazol-1-yl]ethoxy]ethoxy]-6-oxononyl]urea;1-[2-[2-[2-[2-[[6-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrimidin-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]-3-[4-[5-[2-[2-[3-[6-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrimidin-4-yl]propoxy]ethoxy]ethoxy]-2-oxopentyl]phenyl]urea;1-[2-[2-[2-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-[9-[2-[2-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-6-oxononyl]urea (CID 158869643) is 5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-N-[2-[2-[9-[2-[2-[4-[5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethylcarbamoylamino]-4-oxononoxy]ethoxy]ethyl]pyridine-2-carboxamide;1-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]imidazol-1-yl]ethoxy]ethoxy]ethyl]-3-[9-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]imidazol-1-yl]ethoxy]ethoxy]-6-oxononyl]urea;1-[2-[2-[2-[2-[[6-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrimidin-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]-3-[4-[5-[2-[2-[3-[6-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrimidin-4-yl]propoxy]ethoxy]ethoxy]-2-oxopentyl]phenyl]urea;1-[2-[2-[2-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-[9-[2-[2-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-6-oxononyl]urea.
What is the SMILES notation for 5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-N-[2-[2-[9-[2-[2-[4-[5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethylcarbamoylamino]-4-oxononoxy]ethoxy]ethyl]pyridine-2-carboxamide;1-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]imidazol-1-yl]ethoxy]ethoxy]ethyl]-3-[9-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]imidazol-1-yl]ethoxy]ethoxy]-6-oxononyl]urea;1-[2-[2-[2-[2-[[6-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrimidin-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]-3-[4-[5-[2-[2-[3-[6-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrimidin-4-yl]propoxy]ethoxy]ethoxy]-2-oxopentyl]phenyl]urea;1-[2-[2-[2-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-[9-[2-[2-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-6-oxononyl]urea?
The canonical SMILES for 5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-N-[2-[2-[9-[2-[2-[4-[5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethylcarbamoylamino]-4-oxononoxy]ethoxy]ethyl]pyridine-2-carboxamide;1-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]imidazol-1-yl]ethoxy]ethoxy]ethyl]-3-[9-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]imidazol-1-yl]ethoxy]ethoxy]-6-oxononyl]urea;1-[2-[2-[2-[2-[[6-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrimidin-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]-3-[4-[5-[2-[2-[3-[6-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrimidin-4-yl]propoxy]ethoxy]ethoxy]-2-oxopentyl]phenyl]urea;1-[2-[2-[2-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-[9-[2-[2-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-6-oxononyl]urea is CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2cccc(-c3cc(CCCOCCOCCOCCCC(=O)Cc4ccc(NC(=O)NCCOCCOCCOCCNc5cc(-c6cccc([C@@H]7CN(C)Cc8c(Cl)cc(Cl)cc87)c6)ncn5)cc4)ncn3)c2)C1.CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2cccc(-c3ccc(C(=O)CCCOCCOCCNC(=O)NCCCCCC(=O)CCCOCCOCCNC(=O)c4ccc(-c5cccc([C@@H]6CN(C)Cc7c(Cl)cc(Cl)cc76)c5)cn4)nc3)c2)C1.CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2cccc(-c3cn(CCOCCOCCCC(=O)CCCCCNC(=O)NCCOCCOCCn4cnc(-c5cccc([C@@H]6CN(C)Cc7c(Cl)cc(Cl)cc76)c5)c4)cn3)c2)C1.CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2cccc(-c3cn(CCOCCOCCOCCOCCOCCCC(=O)CCCCCNC(=O)NCCOCCOCCOCCOCCOCCn4cc(-c5cccc([C@@H]6CN(C)Cc7c(Cl)cc(Cl)cc76)c5)nn4)nn3)c2)C1.
What is the InChIKey of 5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-N-[2-[2-[9-[2-[2-[4-[5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethylcarbamoylamino]-4-oxononoxy]ethoxy]ethyl]pyridine-2-carboxamide;1-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]imidazol-1-yl]ethoxy]ethoxy]ethyl]-3-[9-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]imidazol-1-yl]ethoxy]ethoxy]-6-oxononyl]urea;1-[2-[2-[2-[2-[[6-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrimidin-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]-3-[4-[5-[2-[2-[3-[6-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrimidin-4-yl]propoxy]ethoxy]ethoxy]-2-oxopentyl]phenyl]urea;1-[2-[2-[2-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-[9-[2-[2-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-6-oxononyl]urea?
The InChIKey is JBRKLGLYKLORNY-CVYOOKMQSA-N. The full InChI is InChI=1S/C68H92Cl4N10O12.C67H77Cl4N9O8.C65H75Cl4N7O8.C58H70Cl4N8O6/c1-79-45-60(58-41-55(69)43-64(71)62(58)47-79)51-9-6-11-53(39-51)66-49-81(77-75-66)17-21-87-25-29-91-33-37-93-35-31-89-27-23-85-19-8-14-57(83)13-4-3-5-15-73-68(84)74-16-20-86-24-28-90-32-36-94-38-34-92-30-26-88-22-18-82-50-67(76-78-82)54-12-7-10-52(40-54)61-46-80(2)48-63-59(61)42-56(70)44-65(63)72;1-79-40-58(56-34-51(68)36-62(70)60(56)42-79)47-7-3-9-49(32-47)64-38-54(74-44-75-64)11-5-19-83-23-27-87-28-24-84-20-6-12-55(81)31-46-13-15-53(16-14-46)78-67(82)73-18-22-86-26-30-88-29-25-85-21-17-72-66-39-65(76-45-77-66)50-10-4-8-48(33-50)59-41-80(2)43-61-57(59)35-52(69)37-63(61)71;1-75-40-55(53-34-50(66)36-59(68)57(53)42-75)46-12-6-10-44(32-46)48-17-19-61(73-38-48)63(78)16-9-25-82-29-31-84-27-23-72-65(80)71-21-5-3-4-14-52(77)15-8-24-81-28-30-83-26-22-70-64(79)62-20-18-49(39-74-62)45-11-7-13-47(33-45)56-41-76(2)43-58-54(56)35-51(67)37-60(58)69;1-67-33-50(48-29-45(59)31-54(61)52(48)35-67)41-9-6-11-43(27-41)56-37-69(39-65-56)17-21-75-25-23-73-19-8-14-47(71)13-4-3-5-15-63-58(72)64-16-20-74-24-26-76-22-18-70-38-57(66-40-70)44-12-7-10-42(28-44)51-34-68(2)36-53-49(51)30-46(60)32-55(53)62/h6-7,9-12,39-44,49-50,60-61H,3-5,8,13-38,45-48H2,1-2H3,(H2,73,74,84);3-4,7-10,13-16,32-39,44-45,58-59H,5-6,11-12,17-31,40-43H2,1-2H3,(H,72,76,77)(H2,73,78,82);6-7,10-13,17-20,32-39,55-56H,3-5,8-9,14-16,21-31,40-43H2,1-2H3,(H,70,79)(H2,71,72,80);6-7,9-12,27-32,37-40,50-51H,3-5,8,13-26,33-36H2,1-2H3,(H2,63,64,72)/t60-,61-;58-,59-;55-,56-;50-,51-/m0000/s1.
What are the key properties of 5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-N-[2-[2-[9-[2-[2-[4-[5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethylcarbamoylamino]-4-oxononoxy]ethoxy]ethyl]pyridine-2-carboxamide;1-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]imidazol-1-yl]ethoxy]ethoxy]ethyl]-3-[9-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]imidazol-1-yl]ethoxy]ethoxy]-6-oxononyl]urea;1-[2-[2-[2-[2-[[6-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrimidin-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]-3-[4-[5-[2-[2-[3-[6-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrimidin-4-yl]propoxy]ethoxy]ethoxy]-2-oxopentyl]phenyl]urea;1-[2-[2-[2-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-[9-[2-[2-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-6-oxononyl]urea?
5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-N-[2-[2-[9-[2-[2-[4-[5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethylcarbamoylamino]-4-oxononoxy]ethoxy]ethyl]pyridine-2-carboxamide;1-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]imidazol-1-yl]ethoxy]ethoxy]ethyl]-3-[9-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]imidazol-1-yl]ethoxy]ethoxy]-6-oxononyl]urea;1-[2-[2-[2-[2-[[6-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrimidin-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]-3-[4-[5-[2-[2-[3-[6-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrimidin-4-yl]propoxy]ethoxy]ethoxy]-2-oxopentyl]phenyl]urea;1-[2-[2-[2-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-[9-[2-[2-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-6-oxononyl]urea has a molecular weight of 5002.80 g/mol, XLogP of 45.68, 142 rotatable bonds, 10 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-N-[2-[2-[9-[2-[2-[4-[5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-pyridinyl]-4-oxobutoxy]ethoxy]ethylcarbamoylamino]-4-oxononoxy]ethoxy]ethyl]pyridine-2-carboxamide;1-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]imidazol-1-yl]ethoxy]ethoxy]ethyl]-3-[9-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]imidazol-1-yl]ethoxy]ethoxy]-6-oxononyl]urea;1-[2-[2-[2-[2-[[6-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrimidin-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]-3-[4-[5-[2-[2-[3-[6-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrimidin-4-yl]propoxy]ethoxy]ethoxy]-2-oxopentyl]phenyl]urea;1-[2-[2-[2-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-[9-[2-[2-[2-[2-[2-[4-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-6-oxononyl]urea is sourced from PubChem (CID 158869643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).