General Information of the Compound
| Compound ID |
CP0573641
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| Compound Name |
(4,4-difluoro-3-hydroxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone
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| Structure |
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| Formula |
C14H14F2N4O2
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| Molecular Weight |
308.288
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| Canonical SMILES |
OC1CN(CCC1(F)F)C(=O)c1ccccc1-n1nccn1
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| InChI |
InChI=1S/C14H14F2N4O2/c15-14(16)5-8-19(9-12(14)21)13(22)10-3-1-2-4-11(10)20-17-6-7-18-20/h1-4,6-7,12,21H,5,8-9H2
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| InChIKey |
RPDXIVGCXOQYAC-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