Name: Tirbanibulin dihydrochloride
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212671991
Cas No:1038395-65-1
常用名:Tirbanibulin dihydrochloride
别名:KX2-391 (dihydrochloride), KX-01 (dihydrochloride)
别名:KX2-391 (dihydrochloride), KX-01 (dihydrochloride)
IUPAC:N-benzyl-2-(5-{4-[2-(morpholin-4-yl)ethoxy]phenyl}pyridin-2-yl)acetamide dihydrochloride
IUPAC:N-benzyl-2-(5-{4-[2-(morpholin-4-yl)ethoxy]phenyl}pyridin-2-yl)acetamide dihydrochloride
InChI key:CPTPOZGQCQXHJO-UHFFFAOYSA-N

分子式:C26H31Cl2N3O3
分子量:504.45
氢键供体数 (HBD):1
氢键受体数 (HBA):5
LogP:3.2100768
SMILES:Cl.Cl.O=C(Cc1ccc(cn1)-c1ccc(OCCN2CCOCC2)cc1)NCc1ccccc1
SMILES:Cl.Cl.O=C(Cc1ccc(cn1)-c1ccc(OCCN2CCOCC2)cc1)NCc1ccccc1

Tirbanibulin is an inhibitor of Src that targets the peptide substrate site of Src (GI50: 9-60 nM in cancer cell lines).

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