Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L6LD8O
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| Ligand Name |
4-{[5-Fluoro-4-(3-{[(3r)-3-Hydroxypyrrolidin-1-Yl]methyl}-4-Methyl-1h-Pyrrol-1-Yl)pyrimidin-2-Yl]amino}-2,6-Dimethylphenyl Methanesulfonate
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| Synonyms |
4-{[5-Fluoro-4-(3-{[(3r)-3-Hydroxypyrrolidin-1-Yl]methyl}-4-Methyl-1h-Pyrrol-1-Yl)pyrimidin-2-Yl]amino}-2,6-Dimethylphenyl Methanesulfonate; SCHEMBL1327682; Q27467437; X3G
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| Structure |
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Download2D MOL |
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| Formula |
C23H28FN5O4S
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| Canonical SMILES |
CC1=CC(=CC(=C1OS(=O)(=O)C)C)NC2=NC=C(C(=N2)N3C=C(C(=C3)CN4CCC(C4)O)C)F
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| InChI |
1S/C23H28FN5O4S/c1-14-7-18(8-15(2)21(14)33-34(4,31)32)26-23-25-9-20(24)22(27-23)29-10-16(3)17(12-29)11-28-6-5-19(30)13-28/h7-10,12,19,30H,5-6,11,13H2,1-4H3,(H,25,26,27)/t19-/m1/s1
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| InChIKey |
JEDIVKVRGQEZRX-LJQANCHMSA-N
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| PubChem Compound ID | ||||
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