General Information of the Compound
| Compound ID |
CP0396887
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| Compound Name |
5-(2-aminopyrimidin-4-yl)-2-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
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| Structure |
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| Formula |
C17H14F3N5O
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| Molecular Weight |
361.327
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| Canonical SMILES |
Cc1ccc(cc1-c1[nH]c(cc1C(N)=O)-c1ccnc(N)n1)C(F)(F)F
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| InChI |
InChI=1S/C17H14F3N5O/c1-8-2-3-9(17(18,19)20)6-10(8)14-11(15(21)26)7-13(24-14)12-4-5-23-16(22)25-12/h2-7,24H,1H3,(H2,21,26)(H2,22,23,25)
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| InChIKey |
BOOUSDCCWQVKID-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: PT01214, Tyrosine-protein kinase JAK2
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000072 | A2780 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 440 nM
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TI
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LO
TS
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