Name: CBB1003 hydrochloride (1379573-88-2 free base)
Rating: 5 (10 reviews)

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HIT ID:HIT212671212
Cas No:2070015-02-8
常用名:CBB1003 hydrochloride (1379573-88-2 free base)
常用名:CBB1003 hydrochloride (1379573-88-2 free base)
别名:CBB1003 hydrochloride
IUPAC:4-({3-[4-(4-carbamimidoylbenzoyl)piperazine-1-carbonyl]-5-nitrophenyl}methyl)piperazine-1-carboximidamide pentahydrochloride
IUPAC:4-({3-[4-(4-carbamimidoylbenzoyl)piperazine-1-carbonyl]-5-nitrophenyl}methyl)piperazine-1-carboximidamide pentahydrochloride
InChI key:NPEZOGXTPWOUBZ-UHFFFAOYSA-N

分子式:C25H36Cl5N9O4
分子量:703.87
氢键供体数 (HBD):4
氢键受体数 (HBA):10
LogP:-0.03902741
SMILES:Cl.Cl.Cl.Cl.Cl.NC(=N)N1CCN(Cc2cc(cc(c2)[N+]([O-])=O)C(=O)N2CCN(CC2)C(=O)c2ccc(cc2)C(N)=N)CC1
SMILES:Cl.Cl.Cl.Cl.Cl.NC(=N)N1CCN(Cc2cc(cc(c2)[N+]([O-])=O)C(=O)N2CCN(CC2)C(=O)c2ccc(cc2)C(N)=N)CC1

CBB1003 hydrochloride is a new inhibitor of histone demethylase LSD1 (IC50: 10.54 μM).

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