Name: A 410099.1
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214321363
Cas No:762274-58-8
常用名:A 410099.1
别名:A410099.1
IUPAC:(2S)-1-[(2S)-2-cyclohexyl-2-[(2S)-2-(methylamino)propanamido]acetyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide hydrochloride
IUPAC:(2S)-1-[(2S)-2-cyclohexyl-2-[(2S)-2-(methylamino)propanamido]acetyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide hydrochloride
InChI key:OPCYOBWCDDJCFT-VOSOYEAFSA-N

分子式:C27H41ClN4O3
分子量:505.1
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cl.CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc12 |@:9|
SMILES:Cl.CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc12 |@:9|

A410099.1 is a BIRC (baculoviral IAP repeat-containing protein) inhibitor with EC50 values of 4.6, 9.2, 15.6, 19.9, and 93.9 nM for BIRC2/3/4/7/8 respectively, suitable for studying E3 ligases and PROTAC synthesis.

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