N'-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-N-[4-[[(E)-4-[3-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]-4-methoxyanilino]-4-oxobut-2-enyl]-methylamino]butyl]pentanediamide;N'-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-N-[4-[methyl-[(E)-4-[3-(morpholine-4-carbonyl)-5-[[6-(4-phenoxyphenoxy)pyrimidin-4-yl]amino]anilino]-4-oxobut-2-enyl]amino]butyl]pentanediamide;N'-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-N-[4-[methyl-[(E)-4-[2-morpholin-4-yl-5-[[6-(4-phenoxyphenoxy)pyrimidin-4-yl]amino]anilino]-4-oxobut-2-enyl]amino]butyl]pentanediamide

C175H242ClFN30O32S3 — CID 159799011

About N'-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-N-[4-[[(E)-4-[3-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]-4-methoxyanilino]-4-oxobut-2-enyl]-methylamino]butyl]pentanediamide;N'-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-N-[4-[methyl-[(E)-4-[3-(morpholine-4-carbonyl)-5-[[6-(4-phenoxyphenoxy)pyrimidin-4-yl]amino]anilino]-4-oxobut-2-enyl]amino]butyl]pentanediamide;N'-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-N-[4-[methyl-[(E)-4-[2-morpholin-4-yl-5-[[6-(4-phenoxyphenoxy)pyrimidin-4-yl]amino]anilino]-4-oxobut-2-enyl]amino]butyl]pentanediamide

N'-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-N-[4-[[(E)-4-[3-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]-4-methoxyanilino]-4-oxobut-2-enyl]-methylamino]butyl]pentanediamide;N'-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-N-[4-[methyl-[(E)-4-[3-(morpholine-4-carbonyl)-5-[[6-(4-phenoxyphenoxy)pyrimidin-4-yl]amino]anilino]-4-oxobut-2-enyl]amino]butyl]pentanediamide;N'-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-N-[4-[methyl-[(E)-4-[2-morpholin-4-yl-5-[[6-(4-phenoxyphenoxy)pyrimidin-4-yl]amino]anilino]-4-oxobut-2-enyl]amino]butyl]pentanediamide (PubChem CID 159799011) has the molecular formula C175H242ClFN30O32S3 and a molecular weight of 3428.69 g/mol. Its IUPAC name is N'-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-N-[4-[[(E)-4-[3-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]-4-methoxyanilino]-4-oxobut-2-enyl]-methylamino]butyl]pentanediamide;N'-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-N-[4-[methyl-[(E)-4-[3-(morpholine-4-carbonyl)-5-[[6-(4-phenoxyphenoxy)pyrimidin-4-yl]amino]anilino]-4-oxobut-2-enyl]amino]butyl]pentanediamide;N'-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-N-[4-[methyl-[(E)-4-[2-morpholin-4-yl-5-[[6-(4-phenoxyphenoxy)pyrimidin-4-yl]amino]anilino]-4-oxobut-2-enyl]amino]butyl]pentanediamide.

Molecular Properties

• Compound Name: N'-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-N-[4-[[(E)-4-[3-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]-4-methoxyanilino]-4-oxobut-2-enyl]-methylamino]butyl]pentanediamide;N'-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-N-[4-[methyl-[(E)-4-[3-(morpholine-4-carbonyl)-5-[[6-(4-phenoxyphenoxy)pyrimidin-4-yl]amino]anilino]-4-oxobut-2-enyl]amino]butyl]pentanediamide;N'-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-N-[4-[methyl-[(E)-4-[2-morpholin-4-yl-5-[[6-(4-phenoxyphenoxy)pyrimidin-4-yl]amino]anilino]-4-oxobut-2-enyl]amino]butyl]pentanediamide
• PubChem CID: 159799011
• Molecular Formula: C175H242ClFN30O32S3
• Molecular Weight: 3428.69 g/mol
• Exact Mass: 3425.71
• IUPAC Name: N'-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-N-[4-[[(E)-4-[3-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]-4-methoxyanilino]-4-oxobut-2-enyl]-methylamino]butyl]pentanediamide;N'-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-N-[4-[methyl-[(E)-4-[3-(morpholine-4-carbonyl)-5-[[6-(4-phenoxyphenoxy)pyrimidin-4-yl]amino]anilino]-4-oxobut-2-enyl]amino]butyl]pentanediamide;N'-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-N-[4-[methyl-[(E)-4-[2-morpholin-4-yl-5-[[6-(4-phenoxyphenoxy)pyrimidin-4-yl]amino]anilino]-4-oxobut-2-enyl]amino]butyl]pentanediamide
• SMILES: CN(C/C=C/C(=O)Nc1cc(Nc2cc(Oc3ccc(Oc4ccccc4)cc3)ncn2)cc(C(=O)N2CCOCC2)c1)CCCCNC(=O)CCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)C[C@@H]21.CN(C/C=C/C(=O)Nc1cc(Nc2cc(Oc3ccc(Oc4ccccc4)cc3)ncn2)ccc1N1CCOCC1)CCCCNC(=O)CCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)C[C@@H]21.COc1ccc(NC(=O)/C=C/CN(C)CCCCNC(=O)CCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)C[C@@H]32)cc1Nc1cc(Nc2ccc(F)c(Cl)c2)ncn1
• InChI: InChI=1S/C62H84N10O12S.C61H84N10O11S.C52H74ClFN10O9S/c1-71(27-8-7-24-63-57(74)17-9-18-58(75)65-26-12-32-80-36-38-82-37-35-79-31-11-25-64-56(73)16-6-5-15-54-52-42-60(77)70-53(52)44-85-54)28-10-19-59(76)69-48-40-46(62(78)72-29-33-81-34-30-72)39-47(41-48)68-55-43-61(67-45-66-55)84-51-22-20-50(21-23-51)83-49-13-3-2-4-14-49;1-70(29-8-7-26-62-57(73)17-9-18-58(74)64-28-12-34-78-38-40-80-39-37-77-33-11-27-63-56(72)16-6-5-15-54-50-42-60(76)69-52(50)44-83-54)30-10-19-59(75)68-51-41-46(20-25-53(51)71-31-35-79-36-32-71)67-55-43-61(66-45-65-55)82-49-23-21-48(22-24-49)81-47-13-3-2-4-14-47;1-64(24-8-15-51(68)61-38-17-19-44(70-2)42(32-38)62-47-34-46(58-36-59-47)60-37-16-18-41(54)40(53)31-37)23-6-5-20-55-49(66)13-7-14-50(67)57-22-10-26-72-28-30-73-29-27-71-25-9-21-56-48(65)12-4-3-11-45-39-33-52(69)63-43(39)35-74-45/h2-4,10,13-14,19-23,39-41,43,45,52-54H,5-9,11-12,15-18,24-38,42,44H2,1H3,(H,63,74)(H,64,73)(H,65,75)(H,69,76)(H,70,77)(H,66,67,68);2-4,10,13-14,19-25,41,43,45,50,52,54H,5-9,11-12,15-18,26-40,42,44H2,1H3,(H,62,73)(H,63,72)(H,64,74)(H,68,75)(H,69,76)(H,65,66,67);8,15-19,31-32,34,36,39,43,45H,3-7,9-14,20-30,33,35H2,1-2H3,(H,55,66)(H,56,65)(H,57,67)(H,61,68)(H,63,69)(H2,58,59,60,62)/b2*19-10+;15-8+/t52-,53-,54-;50-,52-,54-;39-,43-,45-/m000/s1
• InChIKey: NJNUYSUHRWQGMC-QRANTZNHSA-N
• XLogP: 20.89
• TPSA: 742.91 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 49
• Rotatable Bonds: 115
• Heavy Atoms: 242
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3428.69
LogP ≤ 5	20.89
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-N-[4-[[(E)-4-[3-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]-4-methoxyanilino]-4-oxobut-2-enyl]-methylamino]butyl]pentanediamide;N'-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-N-[4-[methyl-[(E)-4-[3-(morpholine-4-carbonyl)-5-[[6-(4-phenoxyphenoxy)pyrimidin-4-yl]amino]anilino]-4-oxobut-2-enyl]amino]butyl]pentanediamide;N'-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-N-[4-[methyl-[(E)-4-[2-morpholin-4-yl-5-[[6-(4-phenoxyphenoxy)pyrimidin-4-yl]amino]anilino]-4-oxobut-2-enyl]amino]butyl]pentanediamide?

The IUPAC name of N'-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-N-[4-[[(E)-4-[3-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]-4-methoxyanilino]-4-oxobut-2-enyl]-methylamino]butyl]pentanediamide;N'-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-N-[4-[methyl-[(E)-4-[3-(morpholine-4-carbonyl)-5-[[6-(4-phenoxyphenoxy)pyrimidin-4-yl]amino]anilino]-4-oxobut-2-enyl]amino]butyl]pentanediamide;N'-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-N-[4-[methyl-[(E)-4-[2-morpholin-4-yl-5-[[6-(4-phenoxyphenoxy)pyrimidin-4-yl]amino]anilino]-4-oxobut-2-enyl]amino]butyl]pentanediamide (CID 159799011) is N'-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-N-[4-[[(E)-4-[3-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]-4-methoxyanilino]-4-oxobut-2-enyl]-methylamino]butyl]pentanediamide;N'-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-N-[4-[methyl-[(E)-4-[3-(morpholine-4-carbonyl)-5-[[6-(4-phenoxyphenoxy)pyrimidin-4-yl]amino]anilino]-4-oxobut-2-enyl]amino]butyl]pentanediamide;N'-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-N-[4-[methyl-[(E)-4-[2-morpholin-4-yl-5-[[6-(4-phenoxyphenoxy)pyrimidin-4-yl]amino]anilino]-4-oxobut-2-enyl]amino]butyl]pentanediamide.

What is the SMILES notation for N'-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-N-[4-[[(E)-4-[3-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]-4-methoxyanilino]-4-oxobut-2-enyl]-methylamino]butyl]pentanediamide;N'-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-N-[4-[methyl-[(E)-4-[3-(morpholine-4-carbonyl)-5-[[6-(4-phenoxyphenoxy)pyrimidin-4-yl]amino]anilino]-4-oxobut-2-enyl]amino]butyl]pentanediamide;N'-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-N-[4-[methyl-[(E)-4-[2-morpholin-4-yl-5-[[6-(4-phenoxyphenoxy)pyrimidin-4-yl]amino]anilino]-4-oxobut-2-enyl]amino]butyl]pentanediamide?

The canonical SMILES for N'-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-N-[4-[[(E)-4-[3-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]-4-methoxyanilino]-4-oxobut-2-enyl]-methylamino]butyl]pentanediamide;N'-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-N-[4-[methyl-[(E)-4-[3-(morpholine-4-carbonyl)-5-[[6-(4-phenoxyphenoxy)pyrimidin-4-yl]amino]anilino]-4-oxobut-2-enyl]amino]butyl]pentanediamide;N'-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-N-[4-[methyl-[(E)-4-[2-morpholin-4-yl-5-[[6-(4-phenoxyphenoxy)pyrimidin-4-yl]amino]anilino]-4-oxobut-2-enyl]amino]butyl]pentanediamide is CN(C/C=C/C(=O)Nc1cc(Nc2cc(Oc3ccc(Oc4ccccc4)cc3)ncn2)cc(C(=O)N2CCOCC2)c1)CCCCNC(=O)CCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)C[C@@H]21.CN(C/C=C/C(=O)Nc1cc(Nc2cc(Oc3ccc(Oc4ccccc4)cc3)ncn2)ccc1N1CCOCC1)CCCCNC(=O)CCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)C[C@@H]21.COc1ccc(NC(=O)/C=C/CN(C)CCCCNC(=O)CCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)C[C@@H]32)cc1Nc1cc(Nc2ccc(F)c(Cl)c2)ncn1.

What is the InChIKey of N'-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-N-[4-[[(E)-4-[3-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]-4-methoxyanilino]-4-oxobut-2-enyl]-methylamino]butyl]pentanediamide;N'-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-N-[4-[methyl-[(E)-4-[3-(morpholine-4-carbonyl)-5-[[6-(4-phenoxyphenoxy)pyrimidin-4-yl]amino]anilino]-4-oxobut-2-enyl]amino]butyl]pentanediamide;N'-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-N-[4-[methyl-[(E)-4-[2-morpholin-4-yl-5-[[6-(4-phenoxyphenoxy)pyrimidin-4-yl]amino]anilino]-4-oxobut-2-enyl]amino]butyl]pentanediamide?

The InChIKey is NJNUYSUHRWQGMC-QRANTZNHSA-N. The full InChI is InChI=1S/C62H84N10O12S.C61H84N10O11S.C52H74ClFN10O9S/c1-71(27-8-7-24-63-57(74)17-9-18-58(75)65-26-12-32-80-36-38-82-37-35-79-31-11-25-64-56(73)16-6-5-15-54-52-42-60(77)70-53(52)44-85-54)28-10-19-59(76)69-48-40-46(62(78)72-29-33-81-34-30-72)39-47(41-48)68-55-43-61(67-45-66-55)84-51-22-20-50(21-23-51)83-49-13-3-2-4-14-49;1-70(29-8-7-26-62-57(73)17-9-18-58(74)64-28-12-34-78-38-40-80-39-37-77-33-11-27-63-56(72)16-6-5-15-54-50-42-60(76)69-52(50)44-83-54)30-10-19-59(75)68-51-41-46(20-25-53(51)71-31-35-79-36-32-71)67-55-43-61(66-45-65-55)82-49-23-21-48(22-24-49)81-47-13-3-2-4-14-47;1-64(24-8-15-51(68)61-38-17-19-44(70-2)42(32-38)62-47-34-46(58-36-59-47)60-37-16-18-41(54)40(53)31-37)23-6-5-20-55-49(66)13-7-14-50(67)57-22-10-26-72-28-30-73-29-27-71-25-9-21-56-48(65)12-4-3-11-45-39-33-52(69)63-43(39)35-74-45/h2-4,10,13-14,19-23,39-41,43,45,52-54H,5-9,11-12,15-18,24-38,42,44H2,1H3,(H,63,74)(H,64,73)(H,65,75)(H,69,76)(H,70,77)(H,66,67,68);2-4,10,13-14,19-25,41,43,45,50,52,54H,5-9,11-12,15-18,26-40,42,44H2,1H3,(H,62,73)(H,63,72)(H,64,74)(H,68,75)(H,69,76)(H,65,66,67);8,15-19,31-32,34,36,39,43,45H,3-7,9-14,20-30,33,35H2,1-2H3,(H,55,66)(H,56,65)(H,57,67)(H,61,68)(H,63,69)(H2,58,59,60,62)/b2*19-10+;15-8+/t52-,53-,54-;50-,52-,54-;39-,43-,45-/m000/s1.

What are the key properties of N'-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-N-[4-[[(E)-4-[3-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]-4-methoxyanilino]-4-oxobut-2-enyl]-methylamino]butyl]pentanediamide;N'-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-N-[4-[methyl-[(E)-4-[3-(morpholine-4-carbonyl)-5-[[6-(4-phenoxyphenoxy)pyrimidin-4-yl]amino]anilino]-4-oxobut-2-enyl]amino]butyl]pentanediamide;N'-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-N-[4-[methyl-[(E)-4-[2-morpholin-4-yl-5-[[6-(4-phenoxyphenoxy)pyrimidin-4-yl]amino]anilino]-4-oxobut-2-enyl]amino]butyl]pentanediamide?

N'-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-N-[4-[[(E)-4-[3-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]-4-methoxyanilino]-4-oxobut-2-enyl]-methylamino]butyl]pentanediamide;N'-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-N-[4-[methyl-[(E)-4-[3-(morpholine-4-carbonyl)-5-[[6-(4-phenoxyphenoxy)pyrimidin-4-yl]amino]anilino]-4-oxobut-2-enyl]amino]butyl]pentanediamide;N'-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-N-[4-[methyl-[(E)-4-[2-morpholin-4-yl-5-[[6-(4-phenoxyphenoxy)pyrimidin-4-yl]amino]anilino]-4-oxobut-2-enyl]amino]butyl]pentanediamide has a molecular weight of 3428.69 g/mol, XLogP of 20.89, 115 rotatable bonds, 19 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-N-[4-[[(E)-4-[3-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]-4-methoxyanilino]-4-oxobut-2-enyl]-methylamino]butyl]pentanediamide;N'-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-N-[4-[methyl-[(E)-4-[3-(morpholine-4-carbonyl)-5-[[6-(4-phenoxyphenoxy)pyrimidin-4-yl]amino]anilino]-4-oxobut-2-enyl]amino]butyl]pentanediamide;N'-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-N-[4-[methyl-[(E)-4-[2-morpholin-4-yl-5-[[6-(4-phenoxyphenoxy)pyrimidin-4-yl]amino]anilino]-4-oxobut-2-enyl]amino]butyl]pentanediamide is sourced from PubChem (CID 159799011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).