General Information of the Compound
| Compound ID |
CP0528703
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| Compound Name |
N-phenyl-5-[[4-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide
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| Structure |
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| Formula |
C23H24F3N7O
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| Molecular Weight |
471.487
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| Canonical SMILES |
FC(F)(F)c1cnc(Nc2ccc(nc2)C(=O)Nc2ccccc2)nc1NCC1CCNCC1
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| InChI |
InChI=1S/C23H24F3N7O/c24-23(25,26)18-14-30-22(33-20(18)29-12-15-8-10-27-11-9-15)32-17-6-7-19(28-13-17)21(34)31-16-4-2-1-3-5-16/h1-7,13-15,27H,8-12H2,(H,31,34)(H2,29,30,32,33)
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| InChIKey |
LBYCIOWTJQGFPM-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: PT00888, Mast/stem cell growth factor receptor Kit
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3