Name: BU09059
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212692145
Cas No:1541206-05-6
常用名:BU09059
别名:BU-09059, BU 09059
IUPAC:ethyl 2-{[(3R)-7-hydroxy-1,2,3,4-tetrahydroisoquinolin-3-yl]formamido}-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoate
IUPAC:ethyl 2-{[(3R)-7-hydroxy-1,2,3,4-tetrahydroisoquinolin-3-yl]formamido}-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoate
InChI key:RKGRJMYCISUSNK-XTNINKNLSA-N

分子式:C28H37N3O5
分子量:495.62
氢键供体数 (HBD):4
氢键受体数 (HBA):6
LogP:2.9454465
SMILES:CCOC(=O)C(CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1
SMILES:CCOC(=O)C(CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1

BU09059 is a potent, selective, short-acting antagonist of the κ-opioid receptor (KOR).

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