2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[4-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]propyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[2-fluoro-4-[3-[4-[4-[4-[2-[2-[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxymethyl]triazol-1-yl]butanoyl]piperazin-1-yl]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[2-fluoro-4-[3-[4-[4-[4-[2-[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxymethyl]triazol-1-yl]butanoyl]piperazin-1-yl]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid

C172H174F2N32O33S6 — CID 161054740

About 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[4-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]propyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[2-fluoro-4-[3-[4-[4-[4-[2-[2-[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxymethyl]triazol-1-yl]butanoyl]piperazin-1-yl]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[2-fluoro-4-[3-[4-[4-[4-[2-[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxymethyl]triazol-1-yl]butanoyl]piperazin-1-yl]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid

2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[4-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]propyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[2-fluoro-4-[3-[4-[4-[4-[2-[2-[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxymethyl]triazol-1-yl]butanoyl]piperazin-1-yl]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[2-fluoro-4-[3-[4-[4-[4-[2-[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxymethyl]triazol-1-yl]butanoyl]piperazin-1-yl]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 161054740) has the molecular formula C172H174F2N32O33S6 and a molecular weight of 3447.87 g/mol. Its IUPAC name is 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[4-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]propyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[2-fluoro-4-[3-[4-[4-[4-[2-[2-[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxymethyl]triazol-1-yl]butanoyl]piperazin-1-yl]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[2-fluoro-4-[3-[4-[4-[4-[2-[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxymethyl]triazol-1-yl]butanoyl]piperazin-1-yl]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

• Compound Name: 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[4-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]propyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[2-fluoro-4-[3-[4-[4-[4-[2-[2-[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxymethyl]triazol-1-yl]butanoyl]piperazin-1-yl]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[2-fluoro-4-[3-[4-[4-[4-[2-[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxymethyl]triazol-1-yl]butanoyl]piperazin-1-yl]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid
• PubChem CID: 161054740
• Molecular Formula: C172H174F2N32O33S6
• Molecular Weight: 3447.87 g/mol
• Exact Mass: 3445.12
• IUPAC Name: 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[4-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]propyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[2-fluoro-4-[3-[4-[4-[4-[2-[2-[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxymethyl]triazol-1-yl]butanoyl]piperazin-1-yl]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[2-fluoro-4-[3-[4-[4-[4-[2-[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxymethyl]triazol-1-yl]butanoyl]piperazin-1-yl]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid
• SMILES: C=C1CCC(N2C(=O)c3cccc(OCCOCCOCCOCc4cn(CCCC(=O)N5CCN(CC#Cc6ccc(OCCCc7sc(N8CCc9cccc(C(=O)Nc%10nc%11ccccc%11s%10)c9C8)nc7C(=O)O)c(F)c6)CC5)nn4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCCOCCOCc4cn(CCCC(=O)N5CCN(CC#Cc6ccc(OCCCc7sc(N8CCc9cccc(C(=O)Nc%10nc%11ccccc%11s%10)c9C8)nc7C(=O)O)c(F)c6)CC5)nn4)c3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3cccc(NCCOCCOCCOCc4cn(CCCc5sc(N6CCc7cccc(C(=O)Nc8nc9ccccc9s8)c7C6)nc5C(=O)O)nn4)c3C2=O)C(=O)N1
• InChI: InChI=1S/C64H66FN11O12S2.C62H62FN11O11S2.C46H46N10O10S2/c1-41-18-20-50(59(79)66-41)76-60(80)46-12-5-14-52(56(46)61(76)81)88-36-35-85-32-31-84-33-34-86-40-44-38-75(71-70-44)24-7-17-55(77)73-28-26-72(27-29-73)23-6-9-42-19-21-51(48(65)37-42)87-30-8-16-54-57(62(82)83)68-64(90-54)74-25-22-43-10-4-11-45(47(43)39-74)58(78)69-63-67-49-13-2-3-15-53(49)89-63;1-39-18-20-48(57(77)64-39)74-58(78)44-12-5-14-50(54(44)59(74)79)85-34-33-82-31-32-83-38-42-36-73(69-68-42)24-7-17-53(75)71-28-26-70(27-29-71)23-6-9-40-19-21-49(46(63)35-40)84-30-8-16-52-55(60(80)81)66-62(87-52)72-25-22-41-10-4-11-43(45(41)37-72)56(76)67-61-65-47-13-2-3-15-51(47)86-61;57-37-14-13-34(41(59)49-37)56-42(60)30-8-4-10-33(38(30)43(56)61)47-16-19-64-20-21-65-22-23-66-26-28-24-55(53-52-28)17-5-12-36-39(44(62)63)50-46(68-36)54-18-15-27-6-3-7-29(31(27)25-54)40(58)51-45-48-32-9-1-2-11-35(32)67-45/h2-5,10-15,19,21,37-38,50H,1,7-8,16-18,20,22-36,39-40H2,(H,66,79)(H,82,83)(H,67,69,78);2-5,10-15,19,21,35-36,48H,1,7-8,16-18,20,22-34,37-38H2,(H,64,77)(H,80,81)(H,65,67,76);1-4,6-11,24,34,47H,5,12-23,25-26H2,(H,62,63)(H,48,51,58)(H,49,57,59)
• InChIKey: UCPDFCYCAVYGDQ-UHFFFAOYSA-N
• XLogP: 18.54
• TPSA: 764.79 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 57
• Rotatable Bonds: 72
• Heavy Atoms: 245
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3447.87
LogP ≤ 5	18.54
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	57

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[4-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]propyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[2-fluoro-4-[3-[4-[4-[4-[2-[2-[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxymethyl]triazol-1-yl]butanoyl]piperazin-1-yl]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[2-fluoro-4-[3-[4-[4-[4-[2-[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxymethyl]triazol-1-yl]butanoyl]piperazin-1-yl]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid?

The IUPAC name of 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[4-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]propyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[2-fluoro-4-[3-[4-[4-[4-[2-[2-[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxymethyl]triazol-1-yl]butanoyl]piperazin-1-yl]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[2-fluoro-4-[3-[4-[4-[4-[2-[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxymethyl]triazol-1-yl]butanoyl]piperazin-1-yl]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid (CID 161054740) is 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[4-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]propyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[2-fluoro-4-[3-[4-[4-[4-[2-[2-[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxymethyl]triazol-1-yl]butanoyl]piperazin-1-yl]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[2-fluoro-4-[3-[4-[4-[4-[2-[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxymethyl]triazol-1-yl]butanoyl]piperazin-1-yl]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid.

What is the SMILES notation for 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[4-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]propyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[2-fluoro-4-[3-[4-[4-[4-[2-[2-[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxymethyl]triazol-1-yl]butanoyl]piperazin-1-yl]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[2-fluoro-4-[3-[4-[4-[4-[2-[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxymethyl]triazol-1-yl]butanoyl]piperazin-1-yl]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid?

The canonical SMILES for 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[4-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]propyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[2-fluoro-4-[3-[4-[4-[4-[2-[2-[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxymethyl]triazol-1-yl]butanoyl]piperazin-1-yl]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[2-fluoro-4-[3-[4-[4-[4-[2-[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxymethyl]triazol-1-yl]butanoyl]piperazin-1-yl]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid is C=C1CCC(N2C(=O)c3cccc(OCCOCCOCCOCc4cn(CCCC(=O)N5CCN(CC#Cc6ccc(OCCCc7sc(N8CCc9cccc(C(=O)Nc%10nc%11ccccc%11s%10)c9C8)nc7C(=O)O)c(F)c6)CC5)nn4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCCOCCOCc4cn(CCCC(=O)N5CCN(CC#Cc6ccc(OCCCc7sc(N8CCc9cccc(C(=O)Nc%10nc%11ccccc%11s%10)c9C8)nc7C(=O)O)c(F)c6)CC5)nn4)c3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3cccc(NCCOCCOCCOCc4cn(CCCc5sc(N6CCc7cccc(C(=O)Nc8nc9ccccc9s8)c7C6)nc5C(=O)O)nn4)c3C2=O)C(=O)N1.

What is the InChIKey of 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[4-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]propyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[2-fluoro-4-[3-[4-[4-[4-[2-[2-[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxymethyl]triazol-1-yl]butanoyl]piperazin-1-yl]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[2-fluoro-4-[3-[4-[4-[4-[2-[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxymethyl]triazol-1-yl]butanoyl]piperazin-1-yl]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid?

The InChIKey is UCPDFCYCAVYGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H66FN11O12S2.C62H62FN11O11S2.C46H46N10O10S2/c1-41-18-20-50(59(79)66-41)76-60(80)46-12-5-14-52(56(46)61(76)81)88-36-35-85-32-31-84-33-34-86-40-44-38-75(71-70-44)24-7-17-55(77)73-28-26-72(27-29-73)23-6-9-42-19-21-51(48(65)37-42)87-30-8-16-54-57(62(82)83)68-64(90-54)74-25-22-43-10-4-11-45(47(43)39-74)58(78)69-63-67-49-13-2-3-15-53(49)89-63;1-39-18-20-48(57(77)64-39)74-58(78)44-12-5-14-50(54(44)59(74)79)85-34-33-82-31-32-83-38-42-36-73(69-68-42)24-7-17-53(75)71-28-26-70(27-29-71)23-6-9-40-19-21-49(46(63)35-40)84-30-8-16-52-55(60(80)81)66-62(87-52)72-25-22-41-10-4-11-43(45(41)37-72)56(76)67-61-65-47-13-2-3-15-51(47)86-61;57-37-14-13-34(41(59)49-37)56-42(60)30-8-4-10-33(38(30)43(56)61)47-16-19-64-20-21-65-22-23-66-26-28-24-55(53-52-28)17-5-12-36-39(44(62)63)50-46(68-36)54-18-15-27-6-3-7-29(31(27)25-54)40(58)51-45-48-32-9-1-2-11-35(32)67-45/h2-5,10-15,19,21,37-38,50H,1,7-8,16-18,20,22-36,39-40H2,(H,66,79)(H,82,83)(H,67,69,78);2-5,10-15,19,21,35-36,48H,1,7-8,16-18,20,22-34,37-38H2,(H,64,77)(H,80,81)(H,65,67,76);1-4,6-11,24,34,47H,5,12-23,25-26H2,(H,62,63)(H,48,51,58)(H,49,57,59).

What are the key properties of 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[4-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]propyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[2-fluoro-4-[3-[4-[4-[4-[2-[2-[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxymethyl]triazol-1-yl]butanoyl]piperazin-1-yl]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[2-fluoro-4-[3-[4-[4-[4-[2-[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxymethyl]triazol-1-yl]butanoyl]piperazin-1-yl]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid?

2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[4-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]propyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[2-fluoro-4-[3-[4-[4-[4-[2-[2-[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxymethyl]triazol-1-yl]butanoyl]piperazin-1-yl]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[2-fluoro-4-[3-[4-[4-[4-[2-[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxymethyl]triazol-1-yl]butanoyl]piperazin-1-yl]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 3447.87 g/mol, XLogP of 18.54, 72 rotatable bonds, 10 hydrogen bond donors, and 57 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[4-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]propyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[2-fluoro-4-[3-[4-[4-[4-[2-[2-[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxymethyl]triazol-1-yl]butanoyl]piperazin-1-yl]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid;2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[2-fluoro-4-[3-[4-[4-[4-[2-[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxymethyl]triazol-1-yl]butanoyl]piperazin-1-yl]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 161054740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).