General Information of the Compound
| Compound ID |
CP0043942
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| Compound Name |
2-[4-(3,4-Difluoro-phenyl)-1H-pyrazol-3-yl]-6-methyl-pyridine
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| Structure |
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| Formula |
C15H11F2N3
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| Molecular Weight |
271.27
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| Canonical SMILES |
Cc1cccc(n1)-c1n[nH]cc1-c1ccc(F)c(F)c1
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| InChI |
InChI=1S/C15H11F2N3/c1-9-3-2-4-14(19-9)15-11(8-18-20-15)10-5-6-12(16)13(17)7-10/h2-8H,1H3,(H,18,20)
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| InChIKey |
HVRHZSOILWVHAP-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