Name: Midostaurin-D5
Rating: 5 (10 reviews)

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HIT ID:HIT212666055
Cas No:
常用名:Midostaurin-D5
别名:PKC412-D5, CGP 41251-D5
IUPAC:N-[(2S,3R,4R,6R)-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1^{2,6}.0^{7,28}.0^{8,13}.0^{15,19}.0^{20,27}.0^{21,26}]nonacosa-8(13),9,11,14(28),15(19),20(27),21(26),22,24-nonaen-4-yl]-N-methyl(2H5)benzamide
IUPAC:N-[(2S,3R,4R,6R)-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1^{2,6}.0^{7,28}.0^{8,13}.0^{15,19}.0^{20,27}.0^{21,26}]nonacosa-8(13),9,11,14(28),15(19),20(27),21(26),22,24-nonaen-4-yl]-N-methyl(2H5)benzamide
InChI key:BMGQWWVMWDBQGC-WBNDSJHMSA-N

分子式:C35H30N4O4
分子量:575.68
氢键供体数 (HBD):1
氢键受体数 (HBA):4
LogP:5.4337897
SMILES:[H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1c([2H])c([2H])c([2H])c([2H])c1[2H]
SMILES:[H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1c([2H])c([2H])c([2H])c([2H])c1[2H]

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