General Information of the Compound
| Compound ID |
CP0567307
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| Compound Name |
N-[3-[[5-cyclopropyl-2-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
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| Structure |
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| Formula |
C21H28F3N7O
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| Molecular Weight |
451.497
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| Canonical SMILES |
Cc1nn(CC(F)(F)F)cc1Nc1ncc(C2CC2)c(NCCCNC(=O)C2CCC2)n1
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| InChI |
InChI=1S/C21H28F3N7O/c1-13-17(11-31(30-13)12-21(22,23)24)28-20-27-10-16(14-6-7-14)18(29-20)25-8-3-9-26-19(32)15-4-2-5-15/h10-11,14-15H,2-9,12H2,1H3,(H,26,32)(H2,25,27,28,29)
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| InChIKey |
MHPBLCYPFBBOND-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