Name: PARP1-IN-9
Rating: 5 (10 reviews)

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sdf 文件

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HIT ID:HIT214433830
Cas No:2494000-71-2
常用名:PARP1-IN-9
IUPAC:5-({4-hydroxy-3-methoxy-5-[(piperidin-1-yl)methyl]phenyl}methylidene)-1,3-diazinane-2,4,6-trione
IUPAC:5-({4-hydroxy-3-methoxy-5-[(piperidin-1-yl)methyl]phenyl}methylidene)-1,3-diazinane-2,4,6-trione
InChI key:HXNAGUIJNFUEAC-UHFFFAOYSA-N

分子式:C18H21N3O5
分子量:359.382
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(CN2CCCCC2)c1O
SMILES:COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(CN2CCCCC2)c1O

PARP1-IN-9 (Compound 5c) is a potent PARP1 inhibitor, displaying an IC 50 of 30.51 nM. With its ability to induce cell apoptosis and exhibit anticancer activity, PARP1-IN-9 surpasses Olaparib in terms of efficacy [1].

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