General Information of the Compound
| Compound ID |
CP0196940
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| Compound Name |
4-[[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]methyl]benzoic acid
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| Structure |
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| Formula |
C21H15ClFNO4
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| Molecular Weight |
399.805
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| Canonical SMILES |
OC(=O)c1ccc(CNC(=O)c2cc(Cl)ccc2Oc2ccc(F)cc2)cc1
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| InChI |
InChI=1S/C21H15ClFNO4/c22-15-5-10-19(28-17-8-6-16(23)7-9-17)18(11-15)20(25)24-12-13-1-3-14(4-2-13)21(26)27/h1-11H,12H2,(H,24,25)(H,26,27)
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| InChIKey |
XKTODFJLZWCJKL-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