General Information of the Compound
| Compound ID |
CP0496364
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| Compound Name |
4-[[[2-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]benzenesulfonamide
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| Structure |
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| Formula |
C17H18F3N7O2S
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| Molecular Weight |
441.439
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| Canonical SMILES |
Cc1nn(CC(F)(F)F)cc1Nc1nccc(NCc2ccc(cc2)S(N)(=O)=O)n1
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| InChI |
InChI=1S/C17H18F3N7O2S/c1-11-14(9-27(26-11)10-17(18,19)20)24-16-22-7-6-15(25-16)23-8-12-2-4-13(5-3-12)30(21,28)29/h2-7,9H,8,10H2,1H3,(H2,21,28,29)(H2,22,23,24,25)
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| InChIKey |
DMYVADPKXVMAAT-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: PT01008, Macrophage colony-stimulating factor 1 receptor
Protein ID: PT01383, MAP/microtubule affinity-regulating kinase 3
Protein ID: PT01667, MAP/microtubule affinity-regulating kinase 4
Protein ID: PT01212, Serine/threonine-protein kinase 17A
Protein ID: PT01682, Serine/threonine-protein kinase TBK1