General Information of the Compound
| Compound ID |
CP0634621
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| Compound Name |
N-(2,6-difluorobenzyl)-5-(2-(trifluoromethyl)phenoxy)pyrimidin-2-amine
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| Structure |
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| Formula |
C18H12F5N3O
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| Molecular Weight |
381.304
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| Canonical SMILES |
Fc1cccc(F)c1CNc1ncc(Oc2ccccc2C(F)(F)F)cn1
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| InChI |
InChI=1S/C18H12F5N3O/c19-14-5-3-6-15(20)12(14)10-26-17-24-8-11(9-25-17)27-16-7-2-1-4-13(16)18(21,22)23/h1-9H,10H2,(H,24,25,26)
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| InChIKey |
JZNFJBJFKXHYMF-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