Name: BMS-250749
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

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HIT ID:HIT212712273
Cas No:406913-72-2
常用名:BMS-250749
别名:BMS250749, BMS 250749
IUPAC:7,19-difluoro-3-[(2R,3R,4R,5S,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tricosa-1(16),2(10),4(9),5,7,11(15),17(22),18,20-nonaene-12,14-dione
IUPAC:7,19-difluoro-3-[(2R,3R,4R,5S,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tricosa-1(16),2(10),4(9),5,7,11(15),17(22),18,20-nonaene-12,14-dione
InChI key:MUXIBMYSVWHKJF-KLQAUAMZSA-N

分子式:C26H18F3N3O6
分子量:525.44
氢键供体数 (HBD):5
氢键受体数 (HBA):6
LogP:1.9149123
SMILES:OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1F)n1c2ccc(F)cc2c2c3C(=O)NC(=O)c3c3c4cc(F)ccc4[nH]c3c12
SMILES:OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1F)n1c2ccc(F)cc2c2c3C(=O)NC(=O)c3c3c4cc(F)ccc4[nH]c3c12

BMS-250749 is a fluoroglycosylated fluoroindolocarbazole, it has antitumor activity.

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