General Information of the Compound
| Compound ID |
CP0427916
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| Compound Name |
4-{[(2,3,5,6-tetrafluoro-4-hydroxyphenyl)methyl](4H-1,2,4-triazol-4-yl)amino}benzonitrile
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| Structure |
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| Formula |
C16H9F4N5O
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| Molecular Weight |
363.274
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| Canonical SMILES |
Oc1c(F)c(F)c(CN(c2ccc(cc2)C#N)n2cnnc2)c(F)c1F
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| InChI |
InChI=1S/C16H9F4N5O/c17-12-11(13(18)15(20)16(26)14(12)19)6-25(24-7-22-23-8-24)10-3-1-9(5-21)2-4-10/h1-4,7-8,26H,6H2
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| InChIKey |
RVBPLBQLIDGIHO-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