4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-4-oxopentyl]-2-methoxybenzamide;2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-4-oxopentyl]phenyl]diazenyl]phenyl]acetamide;N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-4-oxopentyl]-4-(2-fluoro-3-methylphenoxy)-1-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-[2-oxo-4-[4-[[4-[2-oxo-3-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]propyl]phenyl]diazenyl]phenyl]butoxy]isoindole-1,3-dione

C201H184Cl2F2N34O33S3 — CID 164947499

About 4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-4-oxopentyl]-2-methoxybenzamide;2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-4-oxopentyl]phenyl]diazenyl]phenyl]acetamide;N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-4-oxopentyl]-4-(2-fluoro-3-methylphenoxy)-1-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-[2-oxo-4-[4-[[4-[2-oxo-3-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]propyl]phenyl]diazenyl]phenyl]butoxy]isoindole-1,3-dione

4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-4-oxopentyl]-2-methoxybenzamide;2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-4-oxopentyl]phenyl]diazenyl]phenyl]acetamide;N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-4-oxopentyl]-4-(2-fluoro-3-methylphenoxy)-1-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-[2-oxo-4-[4-[[4-[2-oxo-3-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]propyl]phenyl]diazenyl]phenyl]butoxy]isoindole-1,3-dione (PubChem CID 164947499) has the molecular formula C201H184Cl2F2N34O33S3 and a molecular weight of 3808.99 g/mol. Its IUPAC name is 4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-4-oxopentyl]-2-methoxybenzamide;2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-4-oxopentyl]phenyl]diazenyl]phenyl]acetamide;N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-4-oxopentyl]-4-(2-fluoro-3-methylphenoxy)-1-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-[2-oxo-4-[4-[[4-[2-oxo-3-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]propyl]phenyl]diazenyl]phenyl]butoxy]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-4-oxopentyl]-2-methoxybenzamide;2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-4-oxopentyl]phenyl]diazenyl]phenyl]acetamide;N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-4-oxopentyl]-4-(2-fluoro-3-methylphenoxy)-1-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-[2-oxo-4-[4-[[4-[2-oxo-3-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]propyl]phenyl]diazenyl]phenyl]butoxy]isoindole-1,3-dione
• PubChem CID: 164947499
• Molecular Formula: C201H184Cl2F2N34O33S3
• Molecular Weight: 3808.99 g/mol
• Exact Mass: 3805.23
• IUPAC Name: 4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-4-oxopentyl]-2-methoxybenzamide;2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-4-oxopentyl]phenyl]diazenyl]phenyl]acetamide;N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-4-oxopentyl]-4-(2-fluoro-3-methylphenoxy)-1-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-[2-oxo-4-[4-[[4-[2-oxo-3-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]propyl]phenyl]diazenyl]phenyl]butoxy]isoindole-1,3-dione
• SMILES: COc1cc(/N=N/c2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)cc(OC)c1OCC(=O)CCCNC(=O)C1(Cc2cccc(Nc3nccs3)n2)CCC(Oc2cccc(C)c2F)CC1.COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)NCCCC(=O)COc1c(OC)cc(/N=N/c2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)cc1OC.Cc1ccc(C2=N[C@@H](CC(=O)Cc3ccc(/N=N/c4ccc(CCC(=O)COc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)cc4)cc3)c3nnc(C)n3-c3sc(C)c(C)c32)cc1.Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc(/N=N/c3ccc(CCCC(=O)COc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)cc1)c1nnc(C)n1-2
• InChI: InChI=1S/C53H47ClFN9O10.C50H44N8O7S.C49H42ClN9O7S.C49H51FN8O9S/c1-70-41-12-6-10-38(55)46(41)48-36-20-29(54)13-15-33(36)47-28(24-57-48)25-58-53(61-47)59-30-14-16-35(42(21-30)71-2)50(67)56-19-7-8-32(65)27-74-49-43(72-3)22-31(23-44(49)73-4)62-63-39-11-5-9-34-37(39)26-64(52(34)69)40-17-18-45(66)60-51(40)68;1-27-8-15-33(16-9-27)45-43-28(2)29(3)66-50(43)57-30(4)53-56-46(57)39(51-45)25-37(60)24-32-12-19-35(20-13-32)55-54-34-17-10-31(11-18-34)14-21-36(59)26-65-41-7-5-6-38-44(41)49(64)58(48(38)63)40-22-23-42(61)52-47(40)62;1-26-27(2)67-49-42(26)44(30-12-14-31(50)15-13-30)52-37(45-57-54-28(3)58(45)49)24-41(62)51-32-18-20-34(21-19-32)56-55-33-16-10-29(11-17-33)6-4-7-35(60)25-66-39-9-5-8-36-43(39)48(65)59(47(36)64)38-22-23-40(61)53-46(38)63;1-29-8-4-13-38(43(29)50)67-33-17-19-49(20-18-33,26-30-9-5-14-41(53-30)54-48-52-22-23-68-48)47(63)51-21-7-10-32(59)28-66-44-39(64-2)24-31(25-40(44)65-3)56-57-36-12-6-11-34-35(36)27-58(46(34)62)37-15-16-42(60)55-45(37)61/h5-6,9-16,20-23,25,40H,7-8,17-19,24,26-27H2,1-4H3,(H,56,67)(H,58,59,61)(H,60,66,68);5-13,15-20,39-40H,14,21-26H2,1-4H3,(H,52,61,62);5,8-21,37-38H,4,6-7,22-25H2,1-3H3,(H,51,62)(H,53,61,63);4-6,8-9,11-14,22-25,33,37H,7,10,15-21,26-28H2,1-3H3,(H,51,63)(H,52,53,54)(H,55,60,61)/b63-62+;55-54+;56-55+;57-56+/t;39-,40?;37-,38?;/m.00./s1
• InChIKey: ABTZYBVNJDZTQR-FXFHIEOQSA-N
• XLogP: 33.09
• TPSA: 847.24 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 59
• Rotatable Bonds: 65
• Heavy Atoms: 275
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3808.99
LogP ≤ 5	33.09
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	59

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-4-oxopentyl]-2-methoxybenzamide;2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-4-oxopentyl]phenyl]diazenyl]phenyl]acetamide;N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-4-oxopentyl]-4-(2-fluoro-3-methylphenoxy)-1-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-[2-oxo-4-[4-[[4-[2-oxo-3-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]propyl]phenyl]diazenyl]phenyl]butoxy]isoindole-1,3-dione?

The IUPAC name of 4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-4-oxopentyl]-2-methoxybenzamide;2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-4-oxopentyl]phenyl]diazenyl]phenyl]acetamide;N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-4-oxopentyl]-4-(2-fluoro-3-methylphenoxy)-1-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-[2-oxo-4-[4-[[4-[2-oxo-3-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]propyl]phenyl]diazenyl]phenyl]butoxy]isoindole-1,3-dione (CID 164947499) is 4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-4-oxopentyl]-2-methoxybenzamide;2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-4-oxopentyl]phenyl]diazenyl]phenyl]acetamide;N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-4-oxopentyl]-4-(2-fluoro-3-methylphenoxy)-1-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-[2-oxo-4-[4-[[4-[2-oxo-3-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]propyl]phenyl]diazenyl]phenyl]butoxy]isoindole-1,3-dione.

What is the SMILES notation for 4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-4-oxopentyl]-2-methoxybenzamide;2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-4-oxopentyl]phenyl]diazenyl]phenyl]acetamide;N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-4-oxopentyl]-4-(2-fluoro-3-methylphenoxy)-1-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-[2-oxo-4-[4-[[4-[2-oxo-3-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]propyl]phenyl]diazenyl]phenyl]butoxy]isoindole-1,3-dione?

The canonical SMILES for 4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-4-oxopentyl]-2-methoxybenzamide;2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-4-oxopentyl]phenyl]diazenyl]phenyl]acetamide;N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-4-oxopentyl]-4-(2-fluoro-3-methylphenoxy)-1-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-[2-oxo-4-[4-[[4-[2-oxo-3-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]propyl]phenyl]diazenyl]phenyl]butoxy]isoindole-1,3-dione is COc1cc(/N=N/c2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)cc(OC)c1OCC(=O)CCCNC(=O)C1(Cc2cccc(Nc3nccs3)n2)CCC(Oc2cccc(C)c2F)CC1.COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)NCCCC(=O)COc1c(OC)cc(/N=N/c2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)cc1OC.Cc1ccc(C2=N[C@@H](CC(=O)Cc3ccc(/N=N/c4ccc(CCC(=O)COc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)cc4)cc3)c3nnc(C)n3-c3sc(C)c(C)c32)cc1.Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc(/N=N/c3ccc(CCCC(=O)COc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)cc1)c1nnc(C)n1-2.

What is the InChIKey of 4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-4-oxopentyl]-2-methoxybenzamide;2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-4-oxopentyl]phenyl]diazenyl]phenyl]acetamide;N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-4-oxopentyl]-4-(2-fluoro-3-methylphenoxy)-1-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-[2-oxo-4-[4-[[4-[2-oxo-3-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]propyl]phenyl]diazenyl]phenyl]butoxy]isoindole-1,3-dione?

The InChIKey is ABTZYBVNJDZTQR-FXFHIEOQSA-N. The full InChI is InChI=1S/C53H47ClFN9O10.C50H44N8O7S.C49H42ClN9O7S.C49H51FN8O9S/c1-70-41-12-6-10-38(55)46(41)48-36-20-29(54)13-15-33(36)47-28(24-57-48)25-58-53(61-47)59-30-14-16-35(42(21-30)71-2)50(67)56-19-7-8-32(65)27-74-49-43(72-3)22-31(23-44(49)73-4)62-63-39-11-5-9-34-37(39)26-64(52(34)69)40-17-18-45(66)60-51(40)68;1-27-8-15-33(16-9-27)45-43-28(2)29(3)66-50(43)57-30(4)53-56-46(57)39(51-45)25-37(60)24-32-12-19-35(20-13-32)55-54-34-17-10-31(11-18-34)14-21-36(59)26-65-41-7-5-6-38-44(41)49(64)58(48(38)63)40-22-23-42(61)52-47(40)62;1-26-27(2)67-49-42(26)44(30-12-14-31(50)15-13-30)52-37(45-57-54-28(3)58(45)49)24-41(62)51-32-18-20-34(21-19-32)56-55-33-16-10-29(11-17-33)6-4-7-35(60)25-66-39-9-5-8-36-43(39)48(65)59(47(36)64)38-22-23-40(61)53-46(38)63;1-29-8-4-13-38(43(29)50)67-33-17-19-49(20-18-33,26-30-9-5-14-41(53-30)54-48-52-22-23-68-48)47(63)51-21-7-10-32(59)28-66-44-39(64-2)24-31(25-40(44)65-3)56-57-36-12-6-11-34-35(36)27-58(46(34)62)37-15-16-42(60)55-45(37)61/h5-6,9-16,20-23,25,40H,7-8,17-19,24,26-27H2,1-4H3,(H,56,67)(H,58,59,61)(H,60,66,68);5-13,15-20,39-40H,14,21-26H2,1-4H3,(H,52,61,62);5,8-21,37-38H,4,6-7,22-25H2,1-3H3,(H,51,62)(H,53,61,63);4-6,8-9,11-14,22-25,33,37H,7,10,15-21,26-28H2,1-3H3,(H,51,63)(H,52,53,54)(H,55,60,61)/b63-62+;55-54+;56-55+;57-56+/t;39-,40?;37-,38?;/m.00./s1.

What are the key properties of 4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-4-oxopentyl]-2-methoxybenzamide;2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-4-oxopentyl]phenyl]diazenyl]phenyl]acetamide;N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-4-oxopentyl]-4-(2-fluoro-3-methylphenoxy)-1-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-[2-oxo-4-[4-[[4-[2-oxo-3-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]propyl]phenyl]diazenyl]phenyl]butoxy]isoindole-1,3-dione?

4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-4-oxopentyl]-2-methoxybenzamide;2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-4-oxopentyl]phenyl]diazenyl]phenyl]acetamide;N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-4-oxopentyl]-4-(2-fluoro-3-methylphenoxy)-1-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-[2-oxo-4-[4-[[4-[2-oxo-3-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]propyl]phenyl]diazenyl]phenyl]butoxy]isoindole-1,3-dione has a molecular weight of 3808.99 g/mol, XLogP of 33.09, 65 rotatable bonds, 9 hydrogen bond donors, and 59 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-4-oxopentyl]-2-methoxybenzamide;2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-4-oxopentyl]phenyl]diazenyl]phenyl]acetamide;N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-4-oxopentyl]-4-(2-fluoro-3-methylphenoxy)-1-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-[2-oxo-4-[4-[[4-[2-oxo-3-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]propyl]phenyl]diazenyl]phenyl]butoxy]isoindole-1,3-dione is sourced from PubChem (CID 164947499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).