Name: PARPi-FL
Rating: 5 (10 reviews)

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sdf 文件

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类似物检索

HIT ID:HIT212689196
Cas No:1380359-84-1
常用名:PARPi-FL
别名:PARPiFL, Olaparib-bodipy FL
IUPAC:2,2-difluoro-4-[3-(4-{2-fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzoyl}piperazin-1-yl)-3-oxopropyl]-10,12-dimethyl-1lambda5,3-diaza-2-boratricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide
IUPAC:2,2-difluoro-4-[3-(4-{2-fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzoyl}piperazin-1-yl)-3-oxopropyl]-10,12-dimethyl-1lambda5,3-diaza-2-boratricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide
InChI key:IGUTVNUEFKPBGK-UHFFFAOYSA-N

分子式:C34H32BF3N6O3
分子量:640.47
氢键供体数 (HBD):1
氢键受体数 (HBA):4
LogP:-1.5188742
SMILES:CC1=CC(C)=[N+]2C1=Cc1ccc(CCC(=O)N3CCN(CC3)C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)n1[B-]2(F)F |c:4,t:1,7|
SMILES:CC1=CC(C)=[N+]2C1=Cc1ccc(CCC(=O)N3CCN(CC3)C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)n1[B-]2(F)F |c:4,t:1,7|

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