Name: PROTAC PTPN2 degrader-2
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218851225
Cas No:2912307-38-9
常用名:PROTAC PTPN2 degrader-2
IUPAC:3-(carboxymethoxy)-4-chloro-5-(3-{[(4S)-1-({3-[(4-{2-[(3S)-2,6-dioxopiperidin-3-yl]-3-oxo-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4(12),5,7,9-pentaen-9-yl}piperidine-1-carbonyl)amino]phenyl}methanesulfonyl)-2,2-dimethylpiperidin-4-yl]amino}phenyl)thiophene-2-carboxylic acid
IUPAC:3-(carboxymethoxy)-4-chloro-5-(3-{[(4S)-1-({3-[(4-{2-[(3S)-2,6-dioxopiperidin-3-yl]-3-oxo-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4(12),5,7,9-pentaen-9-yl}piperidine-1-carbonyl)amino]phenyl}methanesulfonyl)-2,2-dimethylpiperidin-4-yl]amino}phenyl)thiophene-2-carboxylic acid
InChI key:GTNMUWOJHCUFGS-OCZFFWILSA-N

分子式:C49H49ClN6O11S2
分子量:997.53
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC1(C)C[C@H](CCN1S(=O)(=O)Cc1cccc(NC(=O)N2CCC(CC2)c2ccc3N([C@H]4CCC(=O)NC4=O)C(=O)c4cccc2c34)c1)Nc1cccc(c1)-c1sc(C(O)=O)c(OCC(O)=O)c1Cl
SMILES:CC1(C)C[C@H](CCN1S(=O)(=O)Cc1cccc(NC(=O)N2CCC(CC2)c2ccc3N([C@H]4CCC(=O)NC4=O)C(=O)c4cccc2c34)c1)Nc1cccc(c1)-c1sc(C(O)=O)c(OCC(O)=O)c1Cl

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