General Information of the Compound
| Compound ID |
CP0489413
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| Compound Name |
5-[[4-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-pyridin-4-ylpyridine-2-carboxamide
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| Structure |
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| Formula |
C22H23F3N8O
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| Molecular Weight |
472.475
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| Canonical SMILES |
FC(F)(F)c1cnc(Nc2ccc(nc2)C(=O)Nc2ccncc2)nc1NCC1CCNCC1
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| InChI |
InChI=1S/C22H23F3N8O/c23-22(24,25)17-13-30-21(33-19(17)29-11-14-3-7-26-8-4-14)32-16-1-2-18(28-12-16)20(34)31-15-5-9-27-10-6-15/h1-2,5-6,9-10,12-14,26H,3-4,7-8,11H2,(H,27,31,34)(H2,29,30,32,33)
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| InChIKey |
NENAMFOTVUMSDW-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