Name: BTK inhibitor 20
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT220912220
Cas No:2696450-27-6
常用名:BTK inhibitor 20
IUPAC:10-[3'-(hydroxymethyl)-1-methyl-5-({5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo-1,6-dihydro-[3,4'-bipyridin]-2'-yl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.0^{2,6}]dodeca-2(6),7,11-trien-9-one
IUPAC:10-[3'-(hydroxymethyl)-1-methyl-5-({5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo-1,6-dihydro-[3,4'-bipyridin]-2'-yl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.0^{2,6}]dodeca-2(6),7,11-trien-9-one
InChI key:InChIKey=AHCYLQZSJZNAJF-QHCPKHFHSA-N

分子式:C37H42N8O4
分子量:662.795
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nc1)C1COC1
SMILES:C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(c2CO)-n2ccn3c4CC(C)(C)Cc4cc3c2=O)nc1)C1COC1

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