General Information of the Compound
| Compound ID |
CP0454741
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| Compound Name |
[5-chloro-2-[[6-[4-(trifluoromethyl)phenoxy]pyridine-3-carbonyl]amino]phenyl]boronic acid
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| Structure |
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| Formula |
C19H13BClF3N2O4
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| Molecular Weight |
436.582
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| Canonical SMILES |
OB(O)c1cc(Cl)ccc1NC(=O)c1ccc(Oc2ccc(cc2)C(F)(F)F)nc1
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| InChI |
InChI=1S/C19H13BClF3N2O4/c21-13-4-7-16(15(9-13)20(28)29)26-18(27)11-1-8-17(25-10-11)30-14-5-2-12(3-6-14)19(22,23)24/h1-10,28-29H,(H,26,27)
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| InChIKey |
PDMXSCCBEBCTGX-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