Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LC71JR
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| Ligand Name |
N,N'-{oxybis[(ethane-2,1-diyl)oxy(1-oxoethane-2,1-diyl)piperidine-1,4-diyl]}bis{4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluorobenzamide}
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| Synonyms |
GXH-II-052; N,N'-{oxybis[(ethane-2,1-diyl)oxy(1-oxoethane-2,1-diyl)piperidine-1,4-diyl]}bis{4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluorobenzamide}; ZMS; GLXC-26035; CS-0541789; N,N'-((2,2'-((Oxybis(ethane-2,1-diyl))bis(oxy))bis(acetyl))bis(piperidine-1,4-diyl))bis(4-((4-((4-chloro-3-((1,1-dimethylethyl)sulfonamido)phenyl)amino)-5-methylpyrimidin-2-yl)amino)-2-fluorobenzamide)
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| Structure |
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Download2D MOL
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| Formula |
C62H76Cl2F2N14O11S2
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| Canonical SMILES |
CC1=CN=C(N=C1NC2=CC(=C(C=C2)Cl)NS(=O)(=O)C(C)(C)C)NC3=CC(=C(C=C3)C(=O)NC4CCN(CC4)C(=O)COCCOCCOCC(=O)N5CCC(CC5)NC(=O)C6=C(C=C(C=C6)NC7=NC=C(C(=N7)NC8=CC(=C(C=C8)Cl)NS(=O)(=O)C(C)(C)C)C)F)F
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| InChI |
1S/C62H76Cl2F2N14O11S2/c1-37-33-67-59(75-55(37)69-43-11-15-47(63)51(31-43)77-92(85,86)61(3,4)5)73-41-9-13-45(49(65)29-41)57(83)71-39-17-21-79(22-18-39)53(81)35-90-27-25-89-26-28-91-36-54(82)80-23-19-40(20-24-80)72-58(84)46-14-10-42(30-50(46)66)74-60-68-34-38(2)56(76-60)70-44-12-16-48(64)52(32-44)78-93(87,88)62(6,7)8/h9-16,29-34,39-40,77-78H,17-28,35-36H2,1-8H3,(H,71,83)(H,72,84)(H2,67,69,73,75)(H2,68,70,74,76)
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| InChIKey |
QKJZSKDMERAPEK-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
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