Name: Fidexaban
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212712624
Cas No:183305-24-0
常用名:Fidexaban
别名:非地沙班, ZK-807834, PD-200022, CI-1031, CI1031, BX-807834, BX807834
别名:非地沙班, ZK-807834, PD-200022, CI-1031, CI1031, BX-807834, BX807834
IUPAC:2-{[2-(5-carbamimidoyl-2-hydroxyphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)phenoxy]pyridin-4-yl](methyl)amino}acetic acid
IUPAC:2-{[2-(5-carbamimidoyl-2-hydroxyphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)phenoxy]pyridin-4-yl](methyl)amino}acetic acid
InChI key:NPNSVNGQJGRSNR-UHFFFAOYSA-N

分子式:C25H24F2N6O5
分子量:526.501
氢键供体数 (HBD):4
氢键受体数 (HBA):9
LogP:-0.6744125
SMILES:CN(CC(O)=O)c1c(F)c(Oc2cccc(c2)C2=NCCN2C)nc(Oc2cc(ccc2O)C(N)=N)c1F |t:18|
SMILES:CN(CC(O)=O)c1c(F)c(Oc2cccc(c2)C2=NCCN2C)nc(Oc2cc(ccc2O)C(N)=N)c1F |t:18|

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