Name: JNJ-67569762
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214323399
Cas No:2380313-26-6
常用名:JNJ-67569762
IUPAC:N-{3-[(2S,5R)-6-amino-5-(ethanesulfonyl)-2-(fluoromethyl)-5-methyl-2,3,4,5-tetrahydropyridin-2-yl]-4-fluorophenyl}-2,2-difluoro-2H-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide
IUPAC:N-{3-[(2S,5R)-6-amino-5-(ethanesulfonyl)-2-(fluoromethyl)-5-methyl-2,3,4,5-tetrahydropyridin-2-yl]-4-fluorophenyl}-2,2-difluoro-2H-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide
InChI key:NDIQAOIHFVWZJQ-NHCUHLMSSA-N

分子式:C22H22F4N4O5S
分子量:530.49
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCS(=O)(=O)[C@]1(C)CC[C@](CF)(N=C1N)c1cc(NC(=O)c2cc3OC(F)(F)Oc3cn2)ccc1F |c:12|
SMILES:CCS(=O)(=O)[C@]1(C)CC[C@](CF)(N=C1N)c1cc(NC(=O)c2cc3OC(F)(F)Oc3cn2)ccc1F |c:12|

JNJ-67569762 is a selective BACE1 inhibitor targeting the S3 pocket ( IC 50 = 2.7 nM).

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