General Information of the Compound
| Compound ID |
CP0029124
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| Compound Name |
3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-[3,5-bis(trifluoromethyl)phenyl]urea
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| Structure |
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| Formula |
C21H13F6N5O2
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| Molecular Weight |
481.356
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| Canonical SMILES |
Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cc(cc(c4)C(F)(F)F)C(F)(F)F)cc3)c12
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| InChI |
InChI=1S/C21H13F6N5O2/c22-20(23,24)11-5-12(21(25,26)27)7-14(6-11)32-19(33)31-13-3-1-10(2-4-13)15-8-34-18-16(15)17(28)29-9-30-18/h1-9H,(H2,28,29,30)(H2,31,32,33)
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| InChIKey |
VLTNUYNTYZRWQD-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00954, Receptor-interacting serine/threonine-protein kinase 1