General Information of the Compound
| Compound ID |
CP0484278
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| Compound Name |
2-[3-[(2,4-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(Cc2ccc(F)cc2F)cc1O
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| InChI |
InChI=1S/C16H11F2N3O3/c17-11-2-1-9(13(18)7-11)5-12-8-15(22)21(20-12)14-6-10(16(23)24)3-4-19-14/h1-4,6-8,22H,5H2,(H,23,24)
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| InChIKey |
AJJPTCIIAOZABG-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