General Information of the Compound
| Compound ID |
CP0060023
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| Compound Name |
N-[4-methyl-3-[3-[2-(methylamino)pyridin-4-yl]pyridin-2-yl]oxyphenyl]-3-(1,1,2,2-tetrafluoroethoxy)benzamide
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| Structure |
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| Formula |
C27H22F4N4O3
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| Molecular Weight |
526.49
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| Canonical SMILES |
CNc1cc(ccn1)-c1cccnc1Oc1cc(NC(=O)c2cccc(OC(F)(F)C(F)F)c2)ccc1C
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| InChI |
InChI=1S/C27H22F4N4O3/c1-16-8-9-19(35-24(36)18-5-3-6-20(13-18)38-27(30,31)26(28)29)15-22(16)37-25-21(7-4-11-34-25)17-10-12-33-23(14-17)32-2/h3-15,26H,1-2H3,(H,32,33)(H,35,36)
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| InChIKey |
BOECRTNECUVVNV-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