General Information of the Compound
| Compound ID |
CP0722470
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| Compound Name |
1-(3,3-Dimethylbutyl)-3-(2-fluoro-5-(7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl)phenyl)urea
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| Structure |
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| Formula |
C22H27FN6O
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| Molecular Weight |
410.497
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| Canonical SMILES |
CNc1ncc2cc(-c3ccc(F)c(NC(=O)NCCC(C)(C)C)c3)c(C)nc2n1
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| InChI |
InChI=1S/C22H27FN6O/c1-13-16(10-15-12-26-20(24-5)29-19(15)27-13)14-6-7-17(23)18(11-14)28-21(30)25-9-8-22(2,3)4/h6-7,10-12H,8-9H2,1-5H3,(H2,25,28,30)(H,24,26,27,29)
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| InChIKey |
MWMSJCLJVPGLKV-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: PT03462, GTPase KRas
Protein ID: PT01381, Serine/threonine-protein kinase B-raf
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000067 | HCT 116 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 280 nM
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