Name: CBB1007 trihydrochloride (1379573-92-8 free base)
Rating: 5 (10 reviews)

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HIT ID:HIT212671214
Cas No:2070015-03-9
常用名:CBB1007 trihydrochloride (1379573-92-8 free base)
常用名:CBB1007 trihydrochloride (1379573-92-8 free base)
别名:CBB1007 trihydrochloride
IUPAC:methyl 3-[4-(4-carbamimidoylbenzoyl)piperazine-1-carbonyl]-5-[(4-carbamimidoylpiperazin-1-yl)methyl]benzoate trihydrochloride
IUPAC:methyl 3-[4-(4-carbamimidoylbenzoyl)piperazine-1-carbonyl]-5-[(4-carbamimidoylpiperazin-1-yl)methyl]benzoate trihydrochloride
InChI key:RIIIVYLDVVJOFM-UHFFFAOYSA-N

分子式:C27H37Cl3N8O4
分子量:644
氢键供体数 (HBD):4
氢键受体数 (HBA):9
LogP:0.024465365
SMILES:Cl.Cl.Cl.COC(=O)c1cc(CN2CCN(CC2)C(N)=N)cc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)C(N)=N
SMILES:Cl.Cl.Cl.COC(=O)c1cc(CN2CCN(CC2)C(N)=N)cc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)C(N)=N

CBB1007 trihydrochloride is a selective, reversible, and substrate competitive LSD1 inhibitor (IC50: 5.27 μM for hLSD1).

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