General Information of the Compound
| Compound ID |
CP0639027
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| Compound Name |
N-(2,6-difluorobenzyl)-5-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)pyrimidin-2-amine
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| Structure |
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| Formula |
C16H12F5N5
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| Molecular Weight |
369.297
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| Canonical SMILES |
Cn1nc(C(F)(F)F)cc1-c1cnc(NCc2c(F)cccc2F)nc1
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| InChI |
InChI=1S/C16H12F5N5/c1-26-13(5-14(25-26)16(19,20)21)9-6-22-15(23-7-9)24-8-10-11(17)3-2-4-12(10)18/h2-7H,8H2,1H3,(H,22,23,24)
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| InChIKey |
XDUZVXZUJVTOIO-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