Name: BTC
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212715233
Cas No:
常用名:BTC
IUPAC:N-[3-(dimethylamino)propyl]-4-(4-{6-[1-(4-{[3-(dimethylamino)propyl]carbamoyl}phenyl)-1H-1,2,3-triazol-4-yl]-9H-carbazol-3-yl}-1H-1,2,3-triazol-1-yl)benzamide
IUPAC:N-[3-(dimethylamino)propyl]-4-(4-{6-[1-(4-{[3-(dimethylamino)propyl]carbamoyl}phenyl)-1H-1,2,3-triazol-4-yl]-9H-carbazol-3-yl}-1H-1,2,3-triazol-1-yl)benzamide
InChI key:XYSUKONPSNPCOS-UHFFFAOYSA-N

分子式:C40H43N11O2
分子量:709.859
氢键供体数 (HBD):3
氢键受体数 (HBA):8
LogP:4.8727636
SMILES:CN(C)CCCNC(=O)c1ccc(cc1)-n1cc(nn1)-c1ccc2[nH]c3ccc(cc3c2c1)-c1cn(nn1)-c1ccc(cc1)C(=O)NCCCN(C)C
SMILES:CN(C)CCCNC(=O)c1ccc(cc1)-n1cc(nn1)-c1ccc2[nH]c3ccc(cc3c2c1)-c1cn(nn1)-c1ccc(cc1)C(=O)NCCCN(C)C

BTC is a human G-quadruplexes regulator, inducing dynamic transitions between the ensembles of unfolded conformations to the folded state in G-quadruplexes, altering the rod shaped DNA sequences into globular quadruplexes with a decrease in hydrodynamic radii.

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