General Information of the Compound
| Compound ID |
CP0528704
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| Compound Name |
5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide
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| Structure |
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| Formula |
C12H11F3N6O
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| Molecular Weight |
312.255
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| Canonical SMILES |
CNc1nc(Nc2ccc(nc2)C(N)=O)ncc1C(F)(F)F
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| InChI |
InChI=1S/C12H11F3N6O/c1-17-10-7(12(13,14)15)5-19-11(21-10)20-6-2-3-8(9(16)22)18-4-6/h2-5H,1H3,(H2,16,22)(H2,17,19,20,21)
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| InChIKey |
HIPXRWCSYVPASR-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