General Information of the Compound
| Compound ID |
CP0551443
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| Compound Name |
4-[[[5-cyclopropyl-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 |
C20H22F3N7O2S
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| Molecular Weight |
481.504
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| Canonical SMILES |
Cc1nn(CC(F)(F)F)cc1Nc1ncc(C2CC2)c(NCc2ccc(cc2)S(N)(=O)=O)n1
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| InChI |
InChI=1S/C20H22F3N7O2S/c1-12-17(10-30(29-12)11-20(21,22)23)27-19-26-9-16(14-4-5-14)18(28-19)25-8-13-2-6-15(7-3-13)33(24,31)32/h2-3,6-7,9-10,14H,4-5,8,11H2,1H3,(H2,24,31,32)(H2,25,26,27,28)
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| InChIKey |
MKXAPJAJZRQNMB-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: 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