Name: PROTAC BcI-2/BcI-xI Degrader-1
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT218849777
Cas No:
常用名:PROTAC BcI-2/BcI-xI Degrader-1
IUPAC:(10S)-12-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}-N-(4-{[(2R)-4-[4-(6-{[(2S)-1-[(2S,4R)-4-hydroxy-2-[({9-oxa-3-thia-5-azatricyclo[8.4.0.0^{2,6}]tetradeca-1(10),2(6),4,11,13-pentaen-12-yl}methyl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl}hexanoyl)piperazin-1-yl]-1-(phenylsulfanyl)butan-2-yl]amino}-3-trifluoromethanesulfonylbenzenesulfonyl)-8-oxa-1,12-diazatricyclo[8.4.0.0^{2,7}]tetradeca-2(7),3,5-triene-5-carboxamide
IUPAC:(10S)-12-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}-N-(4-{[(2R)-4-[4-(6-{[(2S)-1-[(2S,4R)-4-hydroxy-2-[({9-oxa-3-thia-5-azatricyclo[8.4.0.0^{2,6}]tetradeca-1(10),2(6),4,11,13-pentaen-12-yl}methyl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl}hexanoyl)piperazin-1-yl]-1-(phenylsulfanyl)butan-2-yl]amino}-3-trifluoromethanesulfonylbenzenesulfonyl)-8-oxa-1,12-diazatricyclo[8.4.0.0^{2,7}]tetradeca-2(7),3,5-triene-5-carboxamide
InChI key:HUTJHTKYOWKSDW-ZDAWVCBKSA-N

分子式:C78H94ClF3N10O12S4
分子量:1584.35
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12COc3cc(ccc3N1CCN(CC1=C(CCC(C)(C)C1)c1ccc(Cl)cc1)C2)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCN(CC2)C(=O)CCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc3-c4scnc4CCOc3c2)C(C)(C)C)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F
SMILES:[H][C@]12COc3cc(ccc3N1CCN(CC1=C(CCC(C)(C)C1)c1ccc(Cl)cc1)C2)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCN(CC2)C(=O)CCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc3-c4scnc4CCOc3c2)C(C)(C)C)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F

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