General Information of the Compound
| Compound ID |
CP0275674
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| Compound Name |
5-cyclopropyl-4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C18H21F3N8
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| Molecular Weight |
406.416
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| Canonical SMILES |
Cc1nn(CC(F)(F)F)cc1Nc1ncc(C2CC2)c(NCCc2c[nH]cn2)n1
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| InChI |
InChI=1S/C18H21F3N8/c1-11-15(8-29(28-11)9-18(19,20)21)26-17-24-7-14(12-2-3-12)16(27-17)23-5-4-13-6-22-10-25-13/h6-8,10,12H,2-5,9H2,1H3,(H,22,25)(H2,23,24,26,27)
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| InChIKey |
NMRIOJHLVFZPJQ-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: PT01378, Leucine-rich repeat serine/threonine-protein kinase 2
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