N-[1,3-dioxo-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindol-4-yl]acetamide;4-ethynyl-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-hydroxy-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-methoxy-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-methyl-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]-4-(propan-2-ylamino)isoindole-1,3-dione;2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]-4-(trifluoromethyl)isoindole-1,3-dione

C171H202F3N23O24 — CID 158472005

IUPACN-[1,3-dioxo-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindol-4-yl]acetamide;4-ethynyl-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-hydroxy-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-methoxy-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-methyl-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]-4-(propan-2-ylamino)isoindole-1,3-dione;2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]-4-(trifluoromethyl)isoindole-1,3-dione
SMILESC#Cc1cccc2c1C(=O)N(C1CC[C@@H]3[C@H]4CCCN5CCC[C@@H](CN3C1=O)[C@@H]45)C2=O.CC(=O)Nc1cccc2c1C(=O)N(C1CC[C@@H]3[C@H]4CCCN5CCC[C@@H](CN3C1=O)[C@@H]45)C2=O.CC(C)Nc1cccc2c1C(=O)N(C1CC[C@@H]3[C@H]4CCCN5CCC[C@@H](CN3C1=O)[C@@H]45)C2=O.COc1cccc2c1C(=O)N(C1CC[C@@H]3[C@H]4CCCN5CCC[C@@H](CN3C1=O)[C@@H]45)C2=O.Cc1cccc2c1C(=O)N(C1CC[C@@H]3[C@H]4CCCN5CCC[C@@H](CN3C1=O)[C@@H]45)C2=O.O=C1c2cccc(C(F)(F)F)c2C(=O)N1C1CC[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C1=O)[C@@H]34.O=C1c2cccc(O)c2C(=O)N1C1CC[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C1=O)[C@@H]34
InChIInChI=1S/C26H34N4O3.C25H30N4O4.C25H27N3O3.C24H26F3N3O3.C24H29N3O4.C24H29N3O3.C23H27N3O4/c1-15(2)27-19-9-3-7-18-22(19)26(33)30(24(18)31)21-11-10-20-17-8-5-13-28-12-4-6-16(23(17)28)14-29(20)25(21)32;1-14(30)26-18-8-2-6-17-21(18)25(33)29(23(17)31)20-10-9-19-16-7-4-12-27-11-3-5-15(22(16)27)13-28(19)24(20)32;1-2-15-6-3-8-18-21(15)25(31)28(23(18)29)20-11-10-19-17-9-5-13-26-12-4-7-16(22(17)26)14-27(19)24(20)30;25-24(26,27)16-7-1-5-15-19(16)23(33)30(21(15)31)18-9-8-17-14-6-3-11-28-10-2-4-13(20(14)28)12-29(17)22(18)32;1-31-19-8-2-6-16-20(19)24(30)27(22(16)28)18-10-9-17-15-7-4-12-25-11-3-5-14(21(15)25)13-26(17)23(18)29;1-14-5-2-7-17-20(14)24(30)27(22(17)28)19-10-9-18-16-8-4-12-25-11-3-6-15(21(16)25)13-26(18)23(19)29;27-18-7-1-5-15-19(18)23(30)26(21(15)28)17-9-8-16-14-6-3-11-24-10-2-4-13(20(14)24)12-25(16)22(17)29/h3,7,9,15-17,20-21,23,27H,4-6,8,10-14H2,1-2H3;2,6,8,15-16,19-20,22H,3-5,7,9-13H2,1H3,(H,26,30);1,3,6,8,16-17,19-20,22H,4-5,7,9-14H2;1,5,7,13-14,17-18,20H,2-4,6,8-12H2;2,6,8,14-15,17-18,21H,3-5,7,9-13H2,1H3;2,5,7,15-16,18-19,21H,3-4,6,8-13H2,1H3;1,5,7,13-14,16-17,20,27H,2-4,6,8-12H2/t16-,17+,20+,21?,23-;15-,16+,19+,20?,22-;16-,17+,19+,20?,22-;13-,14+,17+,18?,20-;14-,15+,17+,18?,21-;15-,16+,18+,19?,21-;13-,14+,16+,17?,20-/m0000000/s1
InChIKeyHGLPWGIIBVJJAG-SFSSAWDWSA-N
MW3020.63 g/mol
LogP16.83
Rot. Bonds11

About N-[1,3-dioxo-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindol-4-yl]acetamide;4-ethynyl-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-hydroxy-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-methoxy-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-methyl-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]-4-(propan-2-ylamino)isoindole-1,3-dione;2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]-4-(trifluoromethyl)isoindole-1,3-dione

N-[1,3-dioxo-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindol-4-yl]acetamide;4-ethynyl-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-hydroxy-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-methoxy-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-methyl-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]-4-(propan-2-ylamino)isoindole-1,3-dione;2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]-4-(trifluoromethyl)isoindole-1,3-dione (PubChem CID 158472005) has the molecular formula C171H202F3N23O24 and a molecular weight of 3020.63 g/mol. Its IUPAC name is N-[1,3-dioxo-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindol-4-yl]acetamide;4-ethynyl-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-hydroxy-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-methoxy-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-methyl-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]-4-(propan-2-ylamino)isoindole-1,3-dione;2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]-4-(trifluoromethyl)isoindole-1,3-dione.

Molecular Properties

Compound NameN-[1,3-dioxo-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindol-4-yl]acetamide;4-ethynyl-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-hydroxy-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-methoxy-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-methyl-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]-4-(propan-2-ylamino)isoindole-1,3-dione;2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]-4-(trifluoromethyl)isoindole-1,3-dione
PubChem CID158472005
Molecular FormulaC171H202F3N23O24
Molecular Weight3020.63 g/mol
Exact Mass3018.52
IUPAC NameN-[1,3-dioxo-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindol-4-yl]acetamide;4-ethynyl-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-hydroxy-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-methoxy-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-methyl-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]-4-(propan-2-ylamino)isoindole-1,3-dione;2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]-4-(trifluoromethyl)isoindole-1,3-dione
SMILESC#Cc1cccc2c1C(=O)N(C1CC[C@@H]3[C@H]4CCCN5CCC[C@@H](CN3C1=O)[C@@H]45)C2=O.CC(=O)Nc1cccc2c1C(=O)N(C1CC[C@@H]3[C@H]4CCCN5CCC[C@@H](CN3C1=O)[C@@H]45)C2=O.CC(C)Nc1cccc2c1C(=O)N(C1CC[C@@H]3[C@H]4CCCN5CCC[C@@H](CN3C1=O)[C@@H]45)C2=O.COc1cccc2c1C(=O)N(C1CC[C@@H]3[C@H]4CCCN5CCC[C@@H](CN3C1=O)[C@@H]45)C2=O.Cc1cccc2c1C(=O)N(C1CC[C@@H]3[C@H]4CCCN5CCC[C@@H](CN3C1=O)[C@@H]45)C2=O.O=C1c2cccc(C(F)(F)F)c2C(=O)N1C1CC[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C1=O)[C@@H]34.O=C1c2cccc(O)c2C(=O)N1C1CC[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C1=O)[C@@H]34
InChIInChI=1S/C26H34N4O3.C25H30N4O4.C25H27N3O3.C24H26F3N3O3.C24H29N3O4.C24H29N3O3.C23H27N3O4/c1-15(2)27-19-9-3-7-18-22(19)26(33)30(24(18)31)21-11-10-20-17-8-5-13-28-12-4-6-16(23(17)28)14-29(20)25(21)32;1-14(30)26-18-8-2-6-17-21(18)25(33)29(23(17)31)20-10-9-19-16-7-4-12-27-11-3-5-15(22(16)27)13-28(19)24(20)32;1-2-15-6-3-8-18-21(15)25(31)28(23(18)29)20-11-10-19-17-9-5-13-26-12-4-7-16(22(17)26)14-27(19)24(20)30;25-24(26,27)16-7-1-5-15-19(16)23(33)30(21(15)31)18-9-8-17-14-6-3-11-28-10-2-4-13(20(14)28)12-29(17)22(18)32;1-31-19-8-2-6-16-20(19)24(30)27(22(16)28)18-10-9-17-15-7-4-12-25-11-3-5-14(21(15)25)13-26(17)23(18)29;1-14-5-2-7-17-20(14)24(30)27(22(17)28)19-10-9-18-16-8-4-12-25-11-3-6-15(21(16)25)13-26(18)23(19)29;27-18-7-1-5-15-19(18)23(30)26(21(15)28)17-9-8-16-14-6-3-11-24-10-2-4-13(20(14)24)12-25(16)22(17)29/h3,7,9,15-17,20-21,23,27H,4-6,8,10-14H2,1-2H3;2,6,8,15-16,19-20,22H,3-5,7,9-13H2,1H3,(H,26,30);1,3,6,8,16-17,19-20,22H,4-5,7,9-14H2;1,5,7,13-14,17-18,20H,2-4,6,8-12H2;2,6,8,14-15,17-18,21H,3-5,7,9-13H2,1H3;2,5,7,15-16,18-19,21H,3-4,6,8-13H2,1H3;1,5,7,13-14,16-17,20,27H,2-4,6,8-12H2/t16-,17+,20+,21?,23-;15-,16+,19+,20?,22-;16-,17+,19+,20?,22-;13-,14+,17+,18?,20-;14-,15+,17+,18?,21-;15-,16+,18+,19?,21-;13-,14+,16+,17?,20-/m0000000/s1
InChIKeyHGLPWGIIBVJJAG-SFSSAWDWSA-N
XLogP16.83
TPSA497.10 Ų
H-Bond Donors3
H-Bond Acceptors32
Rotatable Bonds11
Heavy Atoms221
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003020.63
LogP ≤ 516.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1032

Analyze N-[1,3-dioxo-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindol-4-yl]acetamide;4-ethynyl-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-hydroxy-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-methoxy-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-methyl-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]-4-(propan-2-ylamino)isoindole-1,3-dione;2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]-4-(trifluoromethyl)isoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1,3-dioxo-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindol-4-yl]acetamide;4-ethynyl-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-hydroxy-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-methoxy-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-methyl-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]-4-(propan-2-ylamino)isoindole-1,3-dione;2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]-4-(trifluoromethyl)isoindole-1,3-dione?
The IUPAC name of N-[1,3-dioxo-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindol-4-yl]acetamide;4-ethynyl-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-hydroxy-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-methoxy-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-methyl-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]-4-(propan-2-ylamino)isoindole-1,3-dione;2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]-4-(trifluoromethyl)isoindole-1,3-dione (CID 158472005) is N-[1,3-dioxo-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindol-4-yl]acetamide;4-ethynyl-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-hydroxy-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-methoxy-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-methyl-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]-4-(propan-2-ylamino)isoindole-1,3-dione;2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]-4-(trifluoromethyl)isoindole-1,3-dione.
What is the SMILES notation for N-[1,3-dioxo-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindol-4-yl]acetamide;4-ethynyl-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-hydroxy-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-methoxy-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-methyl-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]-4-(propan-2-ylamino)isoindole-1,3-dione;2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]-4-(trifluoromethyl)isoindole-1,3-dione?
The canonical SMILES for N-[1,3-dioxo-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindol-4-yl]acetamide;4-ethynyl-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-hydroxy-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-methoxy-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-methyl-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]-4-(propan-2-ylamino)isoindole-1,3-dione;2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]-4-(trifluoromethyl)isoindole-1,3-dione is C#Cc1cccc2c1C(=O)N(C1CC[C@@H]3[C@H]4CCCN5CCC[C@@H](CN3C1=O)[C@@H]45)C2=O.CC(=O)Nc1cccc2c1C(=O)N(C1CC[C@@H]3[C@H]4CCCN5CCC[C@@H](CN3C1=O)[C@@H]45)C2=O.CC(C)Nc1cccc2c1C(=O)N(C1CC[C@@H]3[C@H]4CCCN5CCC[C@@H](CN3C1=O)[C@@H]45)C2=O.COc1cccc2c1C(=O)N(C1CC[C@@H]3[C@H]4CCCN5CCC[C@@H](CN3C1=O)[C@@H]45)C2=O.Cc1cccc2c1C(=O)N(C1CC[C@@H]3[C@H]4CCCN5CCC[C@@H](CN3C1=O)[C@@H]45)C2=O.O=C1c2cccc(C(F)(F)F)c2C(=O)N1C1CC[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C1=O)[C@@H]34.O=C1c2cccc(O)c2C(=O)N1C1CC[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C1=O)[C@@H]34.
What is the InChIKey of N-[1,3-dioxo-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindol-4-yl]acetamide;4-ethynyl-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-hydroxy-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-methoxy-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-methyl-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]-4-(propan-2-ylamino)isoindole-1,3-dione;2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]-4-(trifluoromethyl)isoindole-1,3-dione?
The InChIKey is HGLPWGIIBVJJAG-SFSSAWDWSA-N. The full InChI is InChI=1S/C26H34N4O3.C25H30N4O4.C25H27N3O3.C24H26F3N3O3.C24H29N3O4.C24H29N3O3.C23H27N3O4/c1-15(2)27-19-9-3-7-18-22(19)26(33)30(24(18)31)21-11-10-20-17-8-5-13-28-12-4-6-16(23(17)28)14-29(20)25(21)32;1-14(30)26-18-8-2-6-17-21(18)25(33)29(23(17)31)20-10-9-19-16-7-4-12-27-11-3-5-15(22(16)27)13-28(19)24(20)32;1-2-15-6-3-8-18-21(15)25(31)28(23(18)29)20-11-10-19-17-9-5-13-26-12-4-7-16(22(17)26)14-27(19)24(20)30;25-24(26,27)16-7-1-5-15-19(16)23(33)30(21(15)31)18-9-8-17-14-6-3-11-28-10-2-4-13(20(14)28)12-29(17)22(18)32;1-31-19-8-2-6-16-20(19)24(30)27(22(16)28)18-10-9-17-15-7-4-12-25-11-3-5-14(21(15)25)13-26(17)23(18)29;1-14-5-2-7-17-20(14)24(30)27(22(17)28)19-10-9-18-16-8-4-12-25-11-3-6-15(21(16)25)13-26(18)23(19)29;27-18-7-1-5-15-19(18)23(30)26(21(15)28)17-9-8-16-14-6-3-11-24-10-2-4-13(20(14)24)12-25(16)22(17)29/h3,7,9,15-17,20-21,23,27H,4-6,8,10-14H2,1-2H3;2,6,8,15-16,19-20,22H,3-5,7,9-13H2,1H3,(H,26,30);1,3,6,8,16-17,19-20,22H,4-5,7,9-14H2;1,5,7,13-14,17-18,20H,2-4,6,8-12H2;2,6,8,14-15,17-18,21H,3-5,7,9-13H2,1H3;2,5,7,15-16,18-19,21H,3-4,6,8-13H2,1H3;1,5,7,13-14,16-17,20,27H,2-4,6,8-12H2/t16-,17+,20+,21?,23-;15-,16+,19+,20?,22-;16-,17+,19+,20?,22-;13-,14+,17+,18?,20-;14-,15+,17+,18?,21-;15-,16+,18+,19?,21-;13-,14+,16+,17?,20-/m0000000/s1.
What are the key properties of N-[1,3-dioxo-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindol-4-yl]acetamide;4-ethynyl-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-hydroxy-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-methoxy-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-methyl-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]-4-(propan-2-ylamino)isoindole-1,3-dione;2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]-4-(trifluoromethyl)isoindole-1,3-dione?
N-[1,3-dioxo-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindol-4-yl]acetamide;4-ethynyl-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-hydroxy-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-methoxy-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-methyl-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]-4-(propan-2-ylamino)isoindole-1,3-dione;2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]-4-(trifluoromethyl)isoindole-1,3-dione has a molecular weight of 3020.63 g/mol, XLogP of 16.83, 11 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dioxo-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindol-4-yl]acetamide;4-ethynyl-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-hydroxy-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-methoxy-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-methyl-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]-4-(propan-2-ylamino)isoindole-1,3-dione;2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]-4-(trifluoromethyl)isoindole-1,3-dione is sourced from PubChem (CID 158472005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).