18-fluoro-25-methoxy-31-methyl-22,22-dioxo-3,22λ6,30-trithia-6,8,23,26-tetrazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,10,12,17,19,21(29),24,26-dodecaen-16-one;27-methoxy-24,24-dioxo-3,24λ6-dithia-6,8,12,17,25,28-hexazahexacyclo[24.3.1.12,5.119,23.04,9.010,15]dotriaconta-1(30),2(32),4,6,8,10(15),11,13,19(31),20,22,26,28-tridecaen-18-one;(13S)-25-methoxy-22,22-dioxo-3,22λ6-dithia-6,8,10,15,23,26-hexazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,17(29),18,20,24,26-decaen-16-one;(13R)-25-methoxy-22,22-dioxo-3,22λ6-dithia-6,8,10,15,23,26-hexazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,17(29),18,20,24,26-decaen-16-one;25-methoxy-12-methyl-22,22-dioxo-3,22λ6,30-trithia-6,8,23,26-tetrazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,10,12,17(29),18,20,24,26-dodecaen-16-one

C125H101FN26O20S12 — CID 159850862

About 18-fluoro-25-methoxy-31-methyl-22,22-dioxo-3,22λ6,30-trithia-6,8,23,26-tetrazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,10,12,17,19,21(29),24,26-dodecaen-16-one;27-methoxy-24,24-dioxo-3,24λ6-dithia-6,8,12,17,25,28-hexazahexacyclo[24.3.1.12,5.119,23.04,9.010,15]dotriaconta-1(30),2(32),4,6,8,10(15),11,13,19(31),20,22,26,28-tridecaen-18-one;(13S)-25-methoxy-22,22-dioxo-3,22λ6-dithia-6,8,10,15,23,26-hexazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,17(29),18,20,24,26-decaen-16-one;(13R)-25-methoxy-22,22-dioxo-3,22λ6-dithia-6,8,10,15,23,26-hexazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,17(29),18,20,24,26-decaen-16-one;25-methoxy-12-methyl-22,22-dioxo-3,22λ6,30-trithia-6,8,23,26-tetrazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,10,12,17(29),18,20,24,26-dodecaen-16-one

18-fluoro-25-methoxy-31-methyl-22,22-dioxo-3,22λ6,30-trithia-6,8,23,26-tetrazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,10,12,17,19,21(29),24,26-dodecaen-16-one;27-methoxy-24,24-dioxo-3,24λ6-dithia-6,8,12,17,25,28-hexazahexacyclo[24.3.1.12,5.119,23.04,9.010,15]dotriaconta-1(30),2(32),4,6,8,10(15),11,13,19(31),20,22,26,28-tridecaen-18-one;(13S)-25-methoxy-22,22-dioxo-3,22λ6-dithia-6,8,10,15,23,26-hexazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,17(29),18,20,24,26-decaen-16-one;(13R)-25-methoxy-22,22-dioxo-3,22λ6-dithia-6,8,10,15,23,26-hexazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,17(29),18,20,24,26-decaen-16-one;25-methoxy-12-methyl-22,22-dioxo-3,22λ6,30-trithia-6,8,23,26-tetrazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,10,12,17(29),18,20,24,26-dodecaen-16-one (PubChem CID 159850862) has the molecular formula C125H101FN26O20S12 and a molecular weight of 2691.15 g/mol. Its IUPAC name is 18-fluoro-25-methoxy-31-methyl-22,22-dioxo-3,22λ6,30-trithia-6,8,23,26-tetrazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,10,12,17,19,21(29),24,26-dodecaen-16-one;27-methoxy-24,24-dioxo-3,24λ6-dithia-6,8,12,17,25,28-hexazahexacyclo[24.3.1.12,5.119,23.04,9.010,15]dotriaconta-1(30),2(32),4,6,8,10(15),11,13,19(31),20,22,26,28-tridecaen-18-one;(13S)-25-methoxy-22,22-dioxo-3,22λ6-dithia-6,8,10,15,23,26-hexazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,17(29),18,20,24,26-decaen-16-one;(13R)-25-methoxy-22,22-dioxo-3,22λ6-dithia-6,8,10,15,23,26-hexazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,17(29),18,20,24,26-decaen-16-one;25-methoxy-12-methyl-22,22-dioxo-3,22λ6,30-trithia-6,8,23,26-tetrazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,10,12,17(29),18,20,24,26-dodecaen-16-one.

Molecular Properties

• Compound Name: 18-fluoro-25-methoxy-31-methyl-22,22-dioxo-3,22λ6,30-trithia-6,8,23,26-tetrazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,10,12,17,19,21(29),24,26-dodecaen-16-one;27-methoxy-24,24-dioxo-3,24λ6-dithia-6,8,12,17,25,28-hexazahexacyclo[24.3.1.12,5.119,23.04,9.010,15]dotriaconta-1(30),2(32),4,6,8,10(15),11,13,19(31),20,22,26,28-tridecaen-18-one;(13S)-25-methoxy-22,22-dioxo-3,22λ6-dithia-6,8,10,15,23,26-hexazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,17(29),18,20,24,26-decaen-16-one;(13R)-25-methoxy-22,22-dioxo-3,22λ6-dithia-6,8,10,15,23,26-hexazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,17(29),18,20,24,26-decaen-16-one;25-methoxy-12-methyl-22,22-dioxo-3,22λ6,30-trithia-6,8,23,26-tetrazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,10,12,17(29),18,20,24,26-dodecaen-16-one
• PubChem CID: 159850862
• Molecular Formula: C125H101FN26O20S12
• Molecular Weight: 2691.15 g/mol
• Exact Mass: 2688.43
• IUPAC Name: 18-fluoro-25-methoxy-31-methyl-22,22-dioxo-3,22λ6,30-trithia-6,8,23,26-tetrazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,10,12,17,19,21(29),24,26-dodecaen-16-one;27-methoxy-24,24-dioxo-3,24λ6-dithia-6,8,12,17,25,28-hexazahexacyclo[24.3.1.12,5.119,23.04,9.010,15]dotriaconta-1(30),2(32),4,6,8,10(15),11,13,19(31),20,22,26,28-tridecaen-18-one;(13S)-25-methoxy-22,22-dioxo-3,22λ6-dithia-6,8,10,15,23,26-hexazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,17(29),18,20,24,26-decaen-16-one;(13R)-25-methoxy-22,22-dioxo-3,22λ6-dithia-6,8,10,15,23,26-hexazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,17(29),18,20,24,26-decaen-16-one;25-methoxy-12-methyl-22,22-dioxo-3,22λ6,30-trithia-6,8,23,26-tetrazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,10,12,17(29),18,20,24,26-dodecaen-16-one
• SMILES: COc1ncc2cc1NS(=O)(=O)c1ccc(F)c(c1)C(=O)CCc1ccc(s1)-c1ncnc3c(C)c-2sc13.COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)CCc1sc(cc1C)-c1ncnc3cc-2sc13.COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NC[C@@H]1CCN(C1)c1ncnc3cc-2sc13.COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NC[C@H]1CCN(C1)c1ncnc3cc-2sc13.COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1ccncc1-c1ncnc3cc-2sc13
• InChI: InChI=1S/C26H19FN4O4S3.C26H20N4O4S3.C25H18N6O4S2.2C24H22N6O4S2/c1-13-22-25-23(30-12-29-22)21-8-4-15(36-21)3-7-20(32)17-10-16(5-6-18(17)27)38(33,34)31-19-9-14(24(13)37-25)11-28-26(19)35-2;1-14-8-23-24-25-18(28-13-29-24)11-22(36-25)16-10-19(26(34-2)27-12-16)30-37(32,33)17-5-3-4-15(9-17)20(31)6-7-21(14)35-23;1-35-25-20-8-16(11-28-25)21-9-19-23(36-21)22(30-13-29-19)18-12-26-6-5-15(18)10-27-24(32)14-3-2-4-17(7-14)37(33,34)31-20;2*1-34-24-19-8-16(11-26-24)20-9-18-21(35-20)22(28-13-27-18)30-6-5-14(12-30)10-25-23(31)15-3-2-4-17(7-15)36(32,33)29-19/h4-6,8-12,31H,3,7H2,1-2H3;3-5,8-13,30H,6-7H2,1-2H3;2-9,11-13,31H,10H2,1H3,(H,27,32);2*2-4,7-9,11,13-14,29H,5-6,10,12H2,1H3,(H,25,31)/t;;;2*14-/m...10/s1
• InChIKey: NPXKRFSXXQRQMI-ZTLBLROBSA-N
• XLogP: 21.73
• TPSA: 611.16 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 45
• Rotatable Bonds: 5
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2691.15
LogP ≤ 5	21.73
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of 18-fluoro-25-methoxy-31-methyl-22,22-dioxo-3,22λ6,30-trithia-6,8,23,26-tetrazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,10,12,17,19,21(29),24,26-dodecaen-16-one;27-methoxy-24,24-dioxo-3,24λ6-dithia-6,8,12,17,25,28-hexazahexacyclo[24.3.1.12,5.119,23.04,9.010,15]dotriaconta-1(30),2(32),4,6,8,10(15),11,13,19(31),20,22,26,28-tridecaen-18-one;(13S)-25-methoxy-22,22-dioxo-3,22λ6-dithia-6,8,10,15,23,26-hexazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,17(29),18,20,24,26-decaen-16-one;(13R)-25-methoxy-22,22-dioxo-3,22λ6-dithia-6,8,10,15,23,26-hexazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,17(29),18,20,24,26-decaen-16-one;25-methoxy-12-methyl-22,22-dioxo-3,22λ6,30-trithia-6,8,23,26-tetrazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,10,12,17(29),18,20,24,26-dodecaen-16-one?

The IUPAC name of 18-fluoro-25-methoxy-31-methyl-22,22-dioxo-3,22λ6,30-trithia-6,8,23,26-tetrazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,10,12,17,19,21(29),24,26-dodecaen-16-one;27-methoxy-24,24-dioxo-3,24λ6-dithia-6,8,12,17,25,28-hexazahexacyclo[24.3.1.12,5.119,23.04,9.010,15]dotriaconta-1(30),2(32),4,6,8,10(15),11,13,19(31),20,22,26,28-tridecaen-18-one;(13S)-25-methoxy-22,22-dioxo-3,22λ6-dithia-6,8,10,15,23,26-hexazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,17(29),18,20,24,26-decaen-16-one;(13R)-25-methoxy-22,22-dioxo-3,22λ6-dithia-6,8,10,15,23,26-hexazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,17(29),18,20,24,26-decaen-16-one;25-methoxy-12-methyl-22,22-dioxo-3,22λ6,30-trithia-6,8,23,26-tetrazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,10,12,17(29),18,20,24,26-dodecaen-16-one (CID 159850862) is 18-fluoro-25-methoxy-31-methyl-22,22-dioxo-3,22λ6,30-trithia-6,8,23,26-tetrazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,10,12,17,19,21(29),24,26-dodecaen-16-one;27-methoxy-24,24-dioxo-3,24λ6-dithia-6,8,12,17,25,28-hexazahexacyclo[24.3.1.12,5.119,23.04,9.010,15]dotriaconta-1(30),2(32),4,6,8,10(15),11,13,19(31),20,22,26,28-tridecaen-18-one;(13S)-25-methoxy-22,22-dioxo-3,22λ6-dithia-6,8,10,15,23,26-hexazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,17(29),18,20,24,26-decaen-16-one;(13R)-25-methoxy-22,22-dioxo-3,22λ6-dithia-6,8,10,15,23,26-hexazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,17(29),18,20,24,26-decaen-16-one;25-methoxy-12-methyl-22,22-dioxo-3,22λ6,30-trithia-6,8,23,26-tetrazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,10,12,17(29),18,20,24,26-dodecaen-16-one.

What is the SMILES notation for 18-fluoro-25-methoxy-31-methyl-22,22-dioxo-3,22λ6,30-trithia-6,8,23,26-tetrazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,10,12,17,19,21(29),24,26-dodecaen-16-one;27-methoxy-24,24-dioxo-3,24λ6-dithia-6,8,12,17,25,28-hexazahexacyclo[24.3.1.12,5.119,23.04,9.010,15]dotriaconta-1(30),2(32),4,6,8,10(15),11,13,19(31),20,22,26,28-tridecaen-18-one;(13S)-25-methoxy-22,22-dioxo-3,22λ6-dithia-6,8,10,15,23,26-hexazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,17(29),18,20,24,26-decaen-16-one;(13R)-25-methoxy-22,22-dioxo-3,22λ6-dithia-6,8,10,15,23,26-hexazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,17(29),18,20,24,26-decaen-16-one;25-methoxy-12-methyl-22,22-dioxo-3,22λ6,30-trithia-6,8,23,26-tetrazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,10,12,17(29),18,20,24,26-dodecaen-16-one?

The canonical SMILES for 18-fluoro-25-methoxy-31-methyl-22,22-dioxo-3,22λ6,30-trithia-6,8,23,26-tetrazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,10,12,17,19,21(29),24,26-dodecaen-16-one;27-methoxy-24,24-dioxo-3,24λ6-dithia-6,8,12,17,25,28-hexazahexacyclo[24.3.1.12,5.119,23.04,9.010,15]dotriaconta-1(30),2(32),4,6,8,10(15),11,13,19(31),20,22,26,28-tridecaen-18-one;(13S)-25-methoxy-22,22-dioxo-3,22λ6-dithia-6,8,10,15,23,26-hexazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,17(29),18,20,24,26-decaen-16-one;(13R)-25-methoxy-22,22-dioxo-3,22λ6-dithia-6,8,10,15,23,26-hexazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,17(29),18,20,24,26-decaen-16-one;25-methoxy-12-methyl-22,22-dioxo-3,22λ6,30-trithia-6,8,23,26-tetrazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,10,12,17(29),18,20,24,26-dodecaen-16-one is COc1ncc2cc1NS(=O)(=O)c1ccc(F)c(c1)C(=O)CCc1ccc(s1)-c1ncnc3c(C)c-2sc13.COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)CCc1sc(cc1C)-c1ncnc3cc-2sc13.COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NC[C@@H]1CCN(C1)c1ncnc3cc-2sc13.COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NC[C@H]1CCN(C1)c1ncnc3cc-2sc13.COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1ccncc1-c1ncnc3cc-2sc13.

What is the InChIKey of 18-fluoro-25-methoxy-31-methyl-22,22-dioxo-3,22λ6,30-trithia-6,8,23,26-tetrazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,10,12,17,19,21(29),24,26-dodecaen-16-one;27-methoxy-24,24-dioxo-3,24λ6-dithia-6,8,12,17,25,28-hexazahexacyclo[24.3.1.12,5.119,23.04,9.010,15]dotriaconta-1(30),2(32),4,6,8,10(15),11,13,19(31),20,22,26,28-tridecaen-18-one;(13S)-25-methoxy-22,22-dioxo-3,22λ6-dithia-6,8,10,15,23,26-hexazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,17(29),18,20,24,26-decaen-16-one;(13R)-25-methoxy-22,22-dioxo-3,22λ6-dithia-6,8,10,15,23,26-hexazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,17(29),18,20,24,26-decaen-16-one;25-methoxy-12-methyl-22,22-dioxo-3,22λ6,30-trithia-6,8,23,26-tetrazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,10,12,17(29),18,20,24,26-dodecaen-16-one?

The InChIKey is NPXKRFSXXQRQMI-ZTLBLROBSA-N. The full InChI is InChI=1S/C26H19FN4O4S3.C26H20N4O4S3.C25H18N6O4S2.2C24H22N6O4S2/c1-13-22-25-23(30-12-29-22)21-8-4-15(36-21)3-7-20(32)17-10-16(5-6-18(17)27)38(33,34)31-19-9-14(24(13)37-25)11-28-26(19)35-2;1-14-8-23-24-25-18(28-13-29-24)11-22(36-25)16-10-19(26(34-2)27-12-16)30-37(32,33)17-5-3-4-15(9-17)20(31)6-7-21(14)35-23;1-35-25-20-8-16(11-28-25)21-9-19-23(36-21)22(30-13-29-19)18-12-26-6-5-15(18)10-27-24(32)14-3-2-4-17(7-14)37(33,34)31-20;2*1-34-24-19-8-16(11-26-24)20-9-18-21(35-20)22(28-13-27-18)30-6-5-14(12-30)10-25-23(31)15-3-2-4-17(7-15)36(32,33)29-19/h4-6,8-12,31H,3,7H2,1-2H3;3-5,8-13,30H,6-7H2,1-2H3;2-9,11-13,31H,10H2,1H3,(H,27,32);2*2-4,7-9,11,13-14,29H,5-6,10,12H2,1H3,(H,25,31)/t;;;2*14-/m...10/s1.

What are the key properties of 18-fluoro-25-methoxy-31-methyl-22,22-dioxo-3,22λ6,30-trithia-6,8,23,26-tetrazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,10,12,17,19,21(29),24,26-dodecaen-16-one;27-methoxy-24,24-dioxo-3,24λ6-dithia-6,8,12,17,25,28-hexazahexacyclo[24.3.1.12,5.119,23.04,9.010,15]dotriaconta-1(30),2(32),4,6,8,10(15),11,13,19(31),20,22,26,28-tridecaen-18-one;(13S)-25-methoxy-22,22-dioxo-3,22λ6-dithia-6,8,10,15,23,26-hexazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,17(29),18,20,24,26-decaen-16-one;(13R)-25-methoxy-22,22-dioxo-3,22λ6-dithia-6,8,10,15,23,26-hexazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,17(29),18,20,24,26-decaen-16-one;25-methoxy-12-methyl-22,22-dioxo-3,22λ6,30-trithia-6,8,23,26-tetrazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,10,12,17(29),18,20,24,26-dodecaen-16-one?

18-fluoro-25-methoxy-31-methyl-22,22-dioxo-3,22λ6,30-trithia-6,8,23,26-tetrazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,10,12,17,19,21(29),24,26-dodecaen-16-one;27-methoxy-24,24-dioxo-3,24λ6-dithia-6,8,12,17,25,28-hexazahexacyclo[24.3.1.12,5.119,23.04,9.010,15]dotriaconta-1(30),2(32),4,6,8,10(15),11,13,19(31),20,22,26,28-tridecaen-18-one;(13S)-25-methoxy-22,22-dioxo-3,22λ6-dithia-6,8,10,15,23,26-hexazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,17(29),18,20,24,26-decaen-16-one;(13R)-25-methoxy-22,22-dioxo-3,22λ6-dithia-6,8,10,15,23,26-hexazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,17(29),18,20,24,26-decaen-16-one;25-methoxy-12-methyl-22,22-dioxo-3,22λ6,30-trithia-6,8,23,26-tetrazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,10,12,17(29),18,20,24,26-dodecaen-16-one has a molecular weight of 2691.15 g/mol, XLogP of 21.73, 5 rotatable bonds, 8 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 18-fluoro-25-methoxy-31-methyl-22,22-dioxo-3,22λ6,30-trithia-6,8,23,26-tetrazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,10,12,17,19,21(29),24,26-dodecaen-16-one;27-methoxy-24,24-dioxo-3,24λ6-dithia-6,8,12,17,25,28-hexazahexacyclo[24.3.1.12,5.119,23.04,9.010,15]dotriaconta-1(30),2(32),4,6,8,10(15),11,13,19(31),20,22,26,28-tridecaen-18-one;(13S)-25-methoxy-22,22-dioxo-3,22λ6-dithia-6,8,10,15,23,26-hexazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,17(29),18,20,24,26-decaen-16-one;(13R)-25-methoxy-22,22-dioxo-3,22λ6-dithia-6,8,10,15,23,26-hexazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,17(29),18,20,24,26-decaen-16-one;25-methoxy-12-methyl-22,22-dioxo-3,22λ6,30-trithia-6,8,23,26-tetrazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,10,12,17(29),18,20,24,26-dodecaen-16-one is sourced from PubChem (CID 159850862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).