General Information of the Compound
| Compound ID |
CP0458002
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| Compound Name |
[4-methoxy-2-[[6-[4-(trifluoromethyl)phenoxy]pyridine-3-carbonyl]amino]phenyl]boronic acid
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| Structure |
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| Formula |
C20H16BF3N2O5
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| Molecular Weight |
432.163
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| Canonical SMILES |
COc1ccc(B(O)O)c(NC(=O)c2ccc(Oc3ccc(cc3)C(F)(F)F)nc2)c1
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| InChI |
InChI=1S/C20H16BF3N2O5/c1-30-15-7-8-16(21(28)29)17(10-15)26-19(27)12-2-9-18(25-11-12)31-14-5-3-13(4-6-14)20(22,23)24/h2-11,28-29H,1H3,(H,26,27)
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| InChIKey |
DUHPSCWTWCJXFR-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