General Information of the Compound
| Compound ID |
CP0293796
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| Compound Name |
5-[3-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-1,2,4-triazin-6-yl]pyridine-3-carboxylic acid
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| Structure |
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| Formula |
C20H17BrFN5O3
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| Molecular Weight |
474.29
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| Canonical SMILES |
OC(=O)c1cncc(c1)-c1cnc(nn1)N1CCC(CC1)Oc1cc(F)ccc1Br
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| InChI |
InChI=1S/C20H17BrFN5O3/c21-16-2-1-14(22)8-18(16)30-15-3-5-27(6-4-15)20-24-11-17(25-26-20)12-7-13(19(28)29)10-23-9-12/h1-2,7-11,15H,3-6H2,(H,28,29)
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| InChIKey |
LDBGXPILVWESEX-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