Name: (rel)-PROTAC ERRα Degrader-1
Rating: 5 (10 reviews)

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HIT ID:HIT212668254
Cas No:2306388-84-9
常用名:(rel)-PROTAC ERRα Degrader-1
IUPAC:(2E)-N-[2-(2-{4-[(4R,5S)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazole-1-carbonyl]-2-oxopiperazin-1-yl}acetamido)ethyl]-3-(4-{[2,4-bis(trifluoromethyl)phenyl]methoxy}-3-methoxyphenyl)-2-cyanoprop-2-enamide
IUPAC:(2E)-N-[2-(2-{4-[(4R,5S)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazole-1-carbonyl]-2-oxopiperazin-1-yl}acetamido)ethyl]-3-(4-{[2,4-bis(trifluoromethyl)phenyl]methoxy}-3-methoxyphenyl)-2-cyanoprop-2-enamide
InChI key:ZVQCWVLBPYOZNC-XNCCLBLBSA-N

分子式:C54H49Cl2F6N7O8
分子量:1108.92
氢键供体数 (HBD):2
氢键受体数 (HBA):10
LogP:8.648966
SMILES:COc1ccc(C2=N[C@@H]([C@@H](N2C(=O)N2CCN(CC(=O)NCCNC(=O)C(=C\c3ccc(OCc4ccc(cc4C(F)(F)F)C(F)(F)F)c(OC)c3)\C#N)C(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1
SMILES:COc1ccc(C2=N[C@@H]([C@@H](N2C(=O)N2CCN(CC(=O)NCCNC(=O)C(=C\c3ccc(OCc4ccc(cc4C(F)(F)F)C(F)(F)F)c(OC)c3)\C#N)C(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1

(rel)-PROTAC ERRα Degrader-1 is a relative configuration of PROTAC ERRα Degrader-1, which is an estrogen-related receptor alpha (ERRa) degrader. PROTAC ERRα Degrader-1 consists of an MDM2 ligand binding moiety, a linker and an ERRa binding moiety [1].

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