General Information of the Compound
| Compound ID |
CP0537705
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| Compound Name |
5-[[4-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide
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| Structure |
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| Formula |
C17H20F3N7O
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| Molecular Weight |
395.389
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| Canonical SMILES |
NC(=O)c1ccc(Nc2ncc(c(NCC3CCNCC3)n2)C(F)(F)F)cn1
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| InChI |
InChI=1S/C17H20F3N7O/c18-17(19,20)12-9-25-16(26-11-1-2-13(14(21)28)23-8-11)27-15(12)24-7-10-3-5-22-6-4-10/h1-2,8-10,22H,3-7H2,(H2,21,28)(H2,24,25,26,27)
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| InChIKey |
UMPZATOLIHWYKR-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