Name: S55746 hydrochloride
Rating: 5 (10 reviews)

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HIT ID:HIT212670316
Cas No:1448525-91-4
常用名:S55746 hydrochloride
别名:BLC201 (hydrochloride)
IUPAC:N-(4-hydroxyphenyl)-3-{6-[(3S)-3-[(morpholin-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-2-carbonyl]-2H-1,3-benzodioxol-5-yl}-N-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide hydrochloride
IUPAC:N-(4-hydroxyphenyl)-3-{6-[(3S)-3-[(morpholin-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-2-carbonyl]-2H-1,3-benzodioxol-5-yl}-N-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide hydrochloride
InChI key:RAUZIGXCAJHBEL-WAQYZQTGSA-N

分子式:C43H43ClN4O6
分子量:747.29
氢键供体数 (HBD):1
氢键受体数 (HBA):7
LogP:6.3929944
SMILES:Cl.Oc1ccc(cc1)N(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccccc1
SMILES:Cl.Oc1ccc(cc1)N(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccccc1

S55746 hydrochloride is a potent, orally active and selective inhibitor of BCL-2(Ki of 1.3 nM and a Kd of 3.9 nM),with antitumor activity with low toxicity.

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