General Information of the Compound
| Compound ID |
CP0484276
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| Compound Name |
2-[3-[(2,6-difluorophenyl)methyl]- 5-hydroxypyrazol-1-yl]pyridine-4- carboxylic acid
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| Formula |
C16H11F2N3O3
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| Molecular Weight |
331.278
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| Canonical SMILES |
OC(=O)c1ccnc(c1)-n1nc(Cc2c(F)cccc2F)cc1O
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| InChI |
InChI=1S/C16H11F2N3O3/c17-12-2-1-3-13(18)11(12)7-10-8-15(22)21(20-10)14-6-9(16(23)24)4-5-19-14/h1-6,8,22H,7H2,(H,23,24)
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| InChIKey |
FNUATYZIINTYTJ-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