t-AUCB-PROTAC-1d

Type : Adamantyl, Urea derivative, PROTAC, Indole, Isoindole, Piperazine, Piperidine

Chemical_Nomenclature : N-(8-{[(4-{p-[(1r,4r)-4-[3-(1-Adamantanyl)ureido]cyclohexyloxy]benzoyl}-1-piperazinyl)methyl]carbonylamino}octyl)[2-(2,6-dioxo-3-piperidyl)-1,3-dioxo-4-isoindolinyloxy]acetamide

Canonical SMILES : O=C(N[C@H]1CC[C@H](OC2=CC=C(C(N3CCN(CC(NCCCCCCCCNC(COC4=CC=CC(C(N5C6C(NC(CC6)=O)=O)=O)=C4C5=O)=O)=O)CC3)=O)C=C2)CC1)NC78C[C@@H](C[C@H]9C8)C[C@@H](C9)C7,0.04,4,61.3,2.9

InChI : InChI=1S\/C53H70N8O10\/c62-44-19-18-42(48(65)57-44)61-50(67)41-8-7-9-43(47(41)51(61)68)70-33-46(64)55-21-6-4-2-1-3-5-20-54-45(63)32-59-22-24-60(25-23-59)49(66)37-10-14-39(15-11-37)71-40-16-12-38(13-17-40)56-52(69)58-53-29-34-26-35(30-53)28-36(27-34)31-53\/h7-11,14-15,34-36,38,40,42H,1-6,12-13,16-33H2,(H,54,63)(H,55,64)(H2,56,58,69)(H,57,62,65)\/t34?,35?,36?,38-,40-,42?,53?

InChIKey : HAROUIUCMOJFFA-DXLXITOISA-N

Other name(s) : N-(8-{[(4-{4-[(1r,4r)-4-[3-(adamantan-1-yl)urea]cyclohexyloxy]benzoyl}piperazin-1-yl)methyl]carbonylamino}octyl)-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yloxy]ethanamide

MW : 979.184

Formula : C53H70N8O10

CAS_number :

PubChem :

UniChem : HAROUIUCMOJFFA-DXLXITOISA-N

Families : t-AUCB-PROTAC-1d ligand of proteins in family
Epoxide_hydrolase

Protein :
human-EPHX2