General Information of the Compound
| Compound ID |
CP0094065
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| Compound Name |
5-[2-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]pyrimidin-5-yl]pyridine-3-carboxylic acid
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| Structure |
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| Formula |
C21H18BrFN4O3
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| Molecular Weight |
473.302
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| Canonical SMILES |
OC(=O)c1cncc(c1)-c1cnc(nc1)N1CCC(CC1)Oc1cc(F)ccc1Br
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| InChI |
InChI=1S/C21H18BrFN4O3/c22-18-2-1-16(23)8-19(18)30-17-3-5-27(6-4-17)21-25-11-15(12-26-21)13-7-14(20(28)29)10-24-9-13/h1-2,7-12,17H,3-6H2,(H,28,29)
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| InChIKey |
XOUHTFHLCHSXCX-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