Name: FKBP12 PROTAC RC32
Rating: 5 (10 reviews)

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HIT ID:HIT218850113
Cas No:2375555-66-9
常用名:FKBP12 PROTAC RC32
别名:RC32
IUPAC:(1R,9S,12S,15R,16Z,18R,19R,21R,23S,24Z,26Z,28Z,30S,32S,35R)-12-[(2R)-1-[(1S,3R,4S)-4-{2-[(1-{2-[2-(2-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]amino}ethoxy)ethoxy]ethyl}-1H-1,2,3-triazol-4-yl)methoxy]ethoxy}-3-methoxycyclohexyl]propan-2-yl]-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0^{4,9}]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone
IUPAC:(1R,9S,12S,15R,16Z,18R,19R,21R,23S,24Z,26Z,28Z,30S,32S,35R)-12-[(2R)-1-[(1S,3R,4S)-4-{2-[(1-{2-[2-(2-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]amino}ethoxy)ethoxy]ethyl}-1H-1,2,3-triazol-4-yl)methoxy]ethoxy}-3-methoxycyclohexyl]propan-2-yl]-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0^{4,9}]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone
InChI key:XCSUEITWRRFFMN-PVCLBOCCSA-N

分子式:C75H107N7O20
分子量:1426.71
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CC[C@@H](C)[C@@](O)(O1)C(=O)C(=O)N1CCCC[C@@]1([H])C(=O)O[C@@]([H])(CC(=O)[C@H](C)\C=C(C)/[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C/C=C\C=C(C)/[C@H](C2)OC)[C@H](C)C[C@@H]1CC[C@H](OCCOCc2cn(CCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)nn2)[C@@H](C1)OC
SMILES:[H][C@@]12CC[C@@H](C)[C@@](O)(O1)C(=O)C(=O)N1CCCC[C@@]1([H])C(=O)O[C@@]([H])(CC(=O)[C@H](C)\C=C(C)/[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C/C=C\C=C(C)/[C@H](C2)OC)[C@H](C)C[C@@H]1CC[C@H](OCCOCc2cn(CCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)nn2)[C@@H](C1)OC

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