Name: STAT3 HiBiT degrader 1
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT219136831
Cas No:2767166-30-1
常用名:STAT3 HiBiT degrader 1
IUPAC:[(2-{[(5S,8S,10aR)-8-{[(1S)-3-carbamoyl-1-{[(2S)-3-(3,4-difluorophenyl)-1-(4-{4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]but-3-yn-1-yl}piperidin-1-yl)-1-oxopropan-2-yl]carbamoyl}propyl]carbamoyl}-3-(methoxycarbonyl)-6-oxo-decahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1-benzothiophen-5-yl)difluoromethyl]phosphonic acid
IUPAC:[(2-{[(5S,8S,10aR)-8-{[(1S)-3-carbamoyl-1-{[(2S)-3-(3,4-difluorophenyl)-1-(4-{4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]but-3-yn-1-yl}piperidin-1-yl)-1-oxopropan-2-yl]carbamoyl}propyl]carbamoyl}-3-(methoxycarbonyl)-6-oxo-decahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1-benzothiophen-5-yl)difluoromethyl]phosphonic acid
InChI key:OBYZZGGANLEUHK-DFNWYBHTSA-N

分子式:C58H63F4N10O14PS
分子量:1263.23
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12CC[C@H](N1C(=O)[C@H](CN(CC2)C(=O)OC)NC(=O)c1cc2cc(ccc2s1)C(F)(F)P(O)(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)N1CCC(CCC#Cc2ccc3n(C4CCC(=O)NC4=O)c(=O)n(C)c3c2)CC1
SMILES:[H][C@]12CC[C@H](N1C(=O)[C@H](CN(CC2)C(=O)OC)NC(=O)c1cc2cc(ccc2s1)C(F)(F)P(O)(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)N1CCC(CCC#Cc2ccc3n(C4CCC(=O)NC4=O)c(=O)n(C)c3c2)CC1

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