(2S,4R)-1-[(2S)-2-[[2-[4-[3-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)propyl]piperidin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[4-[3-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)propyl]piperidin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;5-[4-[3-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]azetidin-1-yl]piperidin-1-yl]-2-(2,4-dioxocyclohexyl)-6-fluoroisoindole-1,3-dione;5-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]-3-methylazetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C196H221Br2FN30O20S2 — CID 167565764

About (2S,4R)-1-[(2S)-2-[[2-[4-[3-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)propyl]piperidin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[4-[3-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)propyl]piperidin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;5-[4-[3-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]azetidin-1-yl]piperidin-1-yl]-2-(2,4-dioxocyclohexyl)-6-fluoroisoindole-1,3-dione;5-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]-3-methylazetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

(2S,4R)-1-[(2S)-2-[[2-[4-[3-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)propyl]piperidin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[4-[3-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)propyl]piperidin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;5-[4-[3-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]azetidin-1-yl]piperidin-1-yl]-2-(2,4-dioxocyclohexyl)-6-fluoroisoindole-1,3-dione;5-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]-3-methylazetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 167565764) has the molecular formula C196H221Br2FN30O20S2 and a molecular weight of 3560.05 g/mol. Its IUPAC name is (2S,4R)-1-[(2S)-2-[[2-[4-[3-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)propyl]piperidin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[4-[3-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)propyl]piperidin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;5-[4-[3-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]azetidin-1-yl]piperidin-1-yl]-2-(2,4-dioxocyclohexyl)-6-fluoroisoindole-1,3-dione;5-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]-3-methylazetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: (2S,4R)-1-[(2S)-2-[[2-[4-[3-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)propyl]piperidin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[4-[3-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)propyl]piperidin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;5-[4-[3-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]azetidin-1-yl]piperidin-1-yl]-2-(2,4-dioxocyclohexyl)-6-fluoroisoindole-1,3-dione;5-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]-3-methylazetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 167565764
• Molecular Formula: C196H221Br2FN30O20S2
• Molecular Weight: 3560.05 g/mol
• Exact Mass: 3555.50
• IUPAC Name: (2S,4R)-1-[(2S)-2-[[2-[4-[3-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)propyl]piperidin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[4-[3-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)propyl]piperidin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;5-[4-[3-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]azetidin-1-yl]piperidin-1-yl]-2-(2,4-dioxocyclohexyl)-6-fluoroisoindole-1,3-dione;5-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]-3-methylazetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: Cc1ccc(-c2c(C)noc2C)cc1N(CCCC1CCN(CC(=O)N[C@H](C(=O)N2C[C@H](C)C[C@H]2C(=O)N[C@@H](C)c2ccc(-c3scnc3C)cc2)C(C)(C)C)CC1)c1ccc(-n2ccnc2)c(Br)c1.Cc1ccc(-c2c(C)noc2C)cc1N(CCCC1CCN(CC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)c2ccc(-c3scnc3C)cc2)C(C)(C)C)CC1)c1ccc(-n2ccnc2)c(Br)c1.[C-]#[N+]C1(c2ccc(N(CC3CN(C4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)CC5=O)C6=O)CC4)C3)c3cc(-c4c(C)noc4C)ccc3C)cc2)CC1.[C-]#[N+]C1(c2ccc(N(CCCOC3(C)CN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)c3cc(-c4c(C)noc4C)ccc3C)cc2)CC1
• InChI: InChI=1S/C55H68BrN9O4S.C54H66BrN9O5S.C45H45FN6O5.C42H42N6O6/c1-34-27-48(53(67)59-36(3)41-14-16-42(17-15-41)51-38(5)58-33-70-51)65(30-34)54(68)52(55(7,8)9)60-49(66)31-62-24-20-40(21-25-62)11-10-23-64(44-18-19-46(45(56)29-44)63-26-22-57-32-63)47-28-43(13-12-35(47)2)50-37(4)61-69-39(50)6;1-33-11-12-41(49-35(3)60-69-37(49)5)26-46(33)63(42-17-18-45(44(55)27-42)62-25-21-56-31-62)22-9-10-38-19-23-61(24-20-38)30-48(66)59-51(54(6,7)8)53(68)64-29-43(65)28-47(64)52(67)58-34(2)39-13-15-40(16-14-39)50-36(4)57-32-70-50;1-26-5-6-30(42-27(2)48-57-28(42)3)19-39(26)51(33-9-7-31(8-10-33)45(47-4)15-16-45)25-29-23-50(24-29)32-13-17-49(18-14-32)40-22-36-35(21-37(40)46)43(55)52(44(36)56)38-12-11-34(53)20-41(38)54;1-25-7-8-28(37-26(2)45-54-27(37)3)21-35(25)47(30-11-9-29(10-12-30)42(43-5)17-18-42)19-6-20-53-41(4)23-46(24-41)31-13-14-32-33(22-31)40(52)48(39(32)51)34-15-16-36(49)44-38(34)50/h12-19,22,26,28-29,32-34,36,40,48,52H,10-11,20-21,23-25,27,30-31H2,1-9H3,(H,59,67)(H,60,66);11-18,21,25-27,31-32,34,38,43,47,51,65H,9-10,19-20,22-24,28-30H2,1-8H3,(H,58,67)(H,59,66);5-10,19,21-22,29,32,38H,11-18,20,23-25H2,1-3H3;7-14,21-22,34H,6,15-20,23-24H2,1-4H3,(H,44,49,50)/t34-,36+,48+,52-;34-,43+,47-,51+;;/m10../s1
• InChIKey: FGJJHMIUQNJTSG-IKCXLSELSA-N
• XLogP: 34.31
• TPSA: 544.97 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 41
• Rotatable Bonds: 52
• Heavy Atoms: 251
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3560.05
LogP ≤ 5	34.31
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[(2S)-2-[[2-[4-[3-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)propyl]piperidin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[4-[3-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)propyl]piperidin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;5-[4-[3-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]azetidin-1-yl]piperidin-1-yl]-2-(2,4-dioxocyclohexyl)-6-fluoroisoindole-1,3-dione;5-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]-3-methylazetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of (2S,4R)-1-[(2S)-2-[[2-[4-[3-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)propyl]piperidin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[4-[3-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)propyl]piperidin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;5-[4-[3-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]azetidin-1-yl]piperidin-1-yl]-2-(2,4-dioxocyclohexyl)-6-fluoroisoindole-1,3-dione;5-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]-3-methylazetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 167565764) is (2S,4R)-1-[(2S)-2-[[2-[4-[3-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)propyl]piperidin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[4-[3-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)propyl]piperidin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;5-[4-[3-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]azetidin-1-yl]piperidin-1-yl]-2-(2,4-dioxocyclohexyl)-6-fluoroisoindole-1,3-dione;5-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]-3-methylazetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for (2S,4R)-1-[(2S)-2-[[2-[4-[3-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)propyl]piperidin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[4-[3-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)propyl]piperidin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;5-[4-[3-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]azetidin-1-yl]piperidin-1-yl]-2-(2,4-dioxocyclohexyl)-6-fluoroisoindole-1,3-dione;5-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]-3-methylazetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for (2S,4R)-1-[(2S)-2-[[2-[4-[3-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)propyl]piperidin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[4-[3-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)propyl]piperidin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;5-[4-[3-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]azetidin-1-yl]piperidin-1-yl]-2-(2,4-dioxocyclohexyl)-6-fluoroisoindole-1,3-dione;5-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]-3-methylazetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is Cc1ccc(-c2c(C)noc2C)cc1N(CCCC1CCN(CC(=O)N[C@H](C(=O)N2C[C@H](C)C[C@H]2C(=O)N[C@@H](C)c2ccc(-c3scnc3C)cc2)C(C)(C)C)CC1)c1ccc(-n2ccnc2)c(Br)c1.Cc1ccc(-c2c(C)noc2C)cc1N(CCCC1CCN(CC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)c2ccc(-c3scnc3C)cc2)C(C)(C)C)CC1)c1ccc(-n2ccnc2)c(Br)c1.[C-]#[N+]C1(c2ccc(N(CC3CN(C4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)CC5=O)C6=O)CC4)C3)c3cc(-c4c(C)noc4C)ccc3C)cc2)CC1.[C-]#[N+]C1(c2ccc(N(CCCOC3(C)CN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)c3cc(-c4c(C)noc4C)ccc3C)cc2)CC1.

What is the InChIKey of (2S,4R)-1-[(2S)-2-[[2-[4-[3-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)propyl]piperidin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[4-[3-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)propyl]piperidin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;5-[4-[3-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]azetidin-1-yl]piperidin-1-yl]-2-(2,4-dioxocyclohexyl)-6-fluoroisoindole-1,3-dione;5-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]-3-methylazetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is FGJJHMIUQNJTSG-IKCXLSELSA-N. The full InChI is InChI=1S/C55H68BrN9O4S.C54H66BrN9O5S.C45H45FN6O5.C42H42N6O6/c1-34-27-48(53(67)59-36(3)41-14-16-42(17-15-41)51-38(5)58-33-70-51)65(30-34)54(68)52(55(7,8)9)60-49(66)31-62-24-20-40(21-25-62)11-10-23-64(44-18-19-46(45(56)29-44)63-26-22-57-32-63)47-28-43(13-12-35(47)2)50-37(4)61-69-39(50)6;1-33-11-12-41(49-35(3)60-69-37(49)5)26-46(33)63(42-17-18-45(44(55)27-42)62-25-21-56-31-62)22-9-10-38-19-23-61(24-20-38)30-48(66)59-51(54(6,7)8)53(68)64-29-43(65)28-47(64)52(67)58-34(2)39-13-15-40(16-14-39)50-36(4)57-32-70-50;1-26-5-6-30(42-27(2)48-57-28(42)3)19-39(26)51(33-9-7-31(8-10-33)45(47-4)15-16-45)25-29-23-50(24-29)32-13-17-49(18-14-32)40-22-36-35(21-37(40)46)43(55)52(44(36)56)38-12-11-34(53)20-41(38)54;1-25-7-8-28(37-26(2)45-54-27(37)3)21-35(25)47(30-11-9-29(10-12-30)42(43-5)17-18-42)19-6-20-53-41(4)23-46(24-41)31-13-14-32-33(22-31)40(52)48(39(32)51)34-15-16-36(49)44-38(34)50/h12-19,22,26,28-29,32-34,36,40,48,52H,10-11,20-21,23-25,27,30-31H2,1-9H3,(H,59,67)(H,60,66);11-18,21,25-27,31-32,34,38,43,47,51,65H,9-10,19-20,22-24,28-30H2,1-8H3,(H,58,67)(H,59,66);5-10,19,21-22,29,32,38H,11-18,20,23-25H2,1-3H3;7-14,21-22,34H,6,15-20,23-24H2,1-4H3,(H,44,49,50)/t34-,36+,48+,52-;34-,43+,47-,51+;;/m10../s1.

What are the key properties of (2S,4R)-1-[(2S)-2-[[2-[4-[3-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)propyl]piperidin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[4-[3-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)propyl]piperidin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;5-[4-[3-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]azetidin-1-yl]piperidin-1-yl]-2-(2,4-dioxocyclohexyl)-6-fluoroisoindole-1,3-dione;5-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]-3-methylazetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

(2S,4R)-1-[(2S)-2-[[2-[4-[3-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)propyl]piperidin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[4-[3-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)propyl]piperidin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;5-[4-[3-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]azetidin-1-yl]piperidin-1-yl]-2-(2,4-dioxocyclohexyl)-6-fluoroisoindole-1,3-dione;5-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]-3-methylazetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 3560.05 g/mol, XLogP of 34.31, 52 rotatable bonds, 6 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4R)-1-[(2S)-2-[[2-[4-[3-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)propyl]piperidin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[[2-[4-[3-(3-bromo-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-imidazol-1-ylanilino)propyl]piperidin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-methyl-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;5-[4-[3-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]azetidin-1-yl]piperidin-1-yl]-2-(2,4-dioxocyclohexyl)-6-fluoroisoindole-1,3-dione;5-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]-3-methylazetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 167565764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).