dBET23 | dBET-23 | dBET 23 | CAS 1957234-83-1 | AnyMole

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HIT212715588

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HIT212715588

HIT ID:HIT212715588
Cas No:1957234-83-1
常用名:dBET23
别名:dBET-23, dBET 23
IUPAC:methyl 2-[(9S)-7-(4-chlorophenyl)-4-{[8-(2-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]oxy}acetamido)octyl]carbamoyl}-5,13-dimethyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]acetate
IUPAC:methyl 2-[(9S)-7-(4-chlorophenyl)-4-{[8-(2-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]oxy}acetamido)octyl]carbamoyl}-5,13-dimethyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]acetate
InChI key:ZIHIUFZFPMILIG-XLTVJXRZSA-N

分子式:C43H45ClN8O9S
分子量:885.39
氢键供体数 (HBD):3
氢键受体数 (HBA):11
LogP:3.6994388
SMILES:COC(=O)C[C@@H]1N=C(c2c(C)c(sc2-n2c(C)nnc12)C(=O)NCCCCCCCCNC(=O)COc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)c1ccc(Cl)cc1 |c:6|
SMILES:COC(=O)C[C@@H]1N=C(c2c(C)c(sc2-n2c(C)nnc12)C(=O)NCCCCCCCCNC(=O)COc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)c1ccc(Cl)cc1 |c:6|

dBET23 is a BRD4 degrader.

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