Name: CRM1-IN-3
Rating: 5 (10 reviews)

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sdf 文件

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HIT ID:HIT100563142
Cas No:1114628-25-9
常用名:CRM1-IN-3
IUPAC:3-(4-chlorobenzamido)-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]benzoic acid
IUPAC:3-(4-chlorobenzamido)-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]benzoic acid
InChI key:BQXRGKXBCYCKLD-UHFFFAOYSA-N

分子式:C26H26ClN3O3
分子量:463.96
氢键供体数 (HBD):2
氢键受体数 (HBA):5
LogP:6.608
SMILES:Cc1ccc(C)c(c1)N1CCN(CC1)c1ccc(cc1NC(=O)c1ccc(Cl)cc1)C(O)=O
SMILES:Cc1ccc(C)c(c1)N1CCN(CC1)c1ccc(cc1NC(=O)c1ccc(Cl)cc1)C(O)=O

CRM1-IN-3 (B28), a noncovalent inhibitor of CRM1, is utilized in the research of protein localization and tumor studies [1].

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