Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L07SGI
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| Ligand Name |
4-({5-chloro-4-[(cis-4-hydroxy-4-methylcyclohexyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}amino)-N,N-dimethyl-3-{[(2R)-1,1,1-trifluoropropan-2-yl]oxy}benzamide
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| Synonyms |
CHEMBL4546504; 4-({5-chloro-4-[(cis-4-hydroxy-4-methylcyclohexyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}amino)-N,N-dimethyl-3-{[(2R)-1,1,1-trifluoropropan-2-yl]oxy}benzamide; SCHEMBL22431048; GTPL10371; BDBM50512318; compound 20 [PMID: 30998356]; 4-[[5-Chloro-4-(4-hydroxy-4-methyl-cyclohexoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethyl-3-[(1R)-2,2,2-trifluoro-1-methyl-ethoxy]benzamide; KE7
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| Structure |
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Download2D MOL |
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| Formula |
C25H29ClF3N5O4
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| Canonical SMILES |
CC(C(F)(F)F)OC1=C(C=CC(=C1)C(=O)N(C)C)NC2=NC3=C(C(=CN3)Cl)C(=N2)OC4CCC(CC4)(C)O
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| InChI |
1S/C25H29ClF3N5O4/c1-13(25(27,28)29)37-18-11-14(22(35)34(3)4)5-6-17(18)31-23-32-20-19(16(26)12-30-20)21(33-23)38-15-7-9-24(2,36)10-8-15/h5-6,11-13,15,36H,7-10H2,1-4H3,(H2,30,31,32,33)/t13-,15?,24?/m1/s1
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| InChIKey |
IUWWRSQCDUQDEZ-QYMSDJBWSA-N
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| PubChem Compound ID | ||||
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