Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LEUH39
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| Ligand Name |
4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluoro-N-[1-(14-{3-[(2-{3-fluoro-4-[(piperidin-4-yl)carbamoyl]anilino}-5-methylpyrimidin-4-yl)amino]-5-[(2-methylpropane-2-sulfonyl)amino]phenyl}-14-oxo-4,7,10-trioxa-13-azatetradecanan-1-oyl)piperidin-4-yl]benzamide
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| Synonyms |
4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluoro-N-[1-(14-{3-[(2-{3-fluoro-4-[(piperidin-4-yl)carbamoyl]anilino}-5-methylpyrimidin-4-yl)amino]-5-[(2-methylpropane-2-sulfonyl)amino]phenyl}-14-oxo-4,7,10-trioxa-13-azatetradecanan-1-oyl)piperidin-4-yl]benzamide; ZN1
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| Structure |
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Download2D MOL
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| Formula |
C64H82ClF2N15O11S2
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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)CCOCCOCCOCCNC(=O)C5=CC(=CC(=C5)NS(=O)(=O)C(C)(C)C)NC6=NC(=NC=C6C)NC7=CC(=C(C=C7)C(=O)NC8CCNCC8)F)F
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| InChI |
1S/C64H82ClF2N15O11S2/c1-39-37-70-61(78-56(39)72-46-11-14-51(65)54(36-46)81-95(89,90)64(6,7)8)76-44-10-13-50(53(67)35-44)60(86)75-43-17-23-82(24-18-43)55(83)19-25-91-27-29-93-30-28-92-26-22-69-58(84)41-31-47(33-48(32-41)80-94(87,88)63(3,4)5)73-57-40(2)38-71-62(79-57)77-45-9-12-49(52(66)34-45)59(85)74-42-15-20-68-21-16-42/h9-14,31-38,42-43,68,80-81H,15-30H2,1-8H3,(H,69,84)(H,74,85)(H,75,86)(H2,70,72,76,78)(H2,71,73,77,79)
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| InChIKey |
DPQKUYBPPCXREN-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
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