General Information of the Compound
| Compound ID |
CP0459942
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| Compound Name |
methyl 4-[[2-[3-(trifluoromethyl)phenoxy]pyridin-3-yl]carbamoylamino]benzoate
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| Structure |
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| Formula |
C21H16F3N3O4
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| Molecular Weight |
431.37
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| Canonical SMILES |
COC(=O)c1ccc(NC(=O)Nc2cccnc2Oc2cccc(c2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C21H16F3N3O4/c1-30-19(28)13-7-9-15(10-8-13)26-20(29)27-17-6-3-11-25-18(17)31-16-5-2-4-14(12-16)21(22,23)24/h2-12H,1H3,(H2,26,27,29)
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| InChIKey |
YTHXPZXQHDFJCY-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