Name: YDR1
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218929567
Cas No:2951015-31-7
常用名:YDR1
IUPAC:5-[4-({1-[4-({4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl}methyl)-2-fluorophenyl]piperidin-4-yl}methyl)piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione
IUPAC:5-[4-({1-[4-({4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl}methyl)-2-fluorophenyl]piperidin-4-yl}methyl)piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione
InChI key:NKECFXWADFBMPA-UHFFFAOYSA-N

分子式:C44H49FN10O5
分子量:816.939
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Nc1nnc(cc1N1CCN(Cc2ccc(N3CCC(CN4CCN(CC4)c4ccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c5c4)CC3)c(F)c2)CC1)-c1ccccc1O
SMILES:Nc1nnc(cc1N1CCN(Cc2ccc(N3CCC(CN4CCN(CC4)c4ccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c5c4)CC3)c(F)c2)CC1)-c1ccccc1O

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