General Information of the Compound
| Compound ID |
CP0969018
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| Compound Name |
3-((1-chloronaphthalen-2-yloxy)methyl)-2-fluorobenzoic acid
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| Structure |
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| Formula |
C18H12ClFO3
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| Molecular Weight |
330.742
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| Canonical SMILES |
O=C(O)c1cccc(COc2ccc3ccccc3c2Cl)c1F
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| InChI |
InChI=1S/C18H12ClFO3/c19-16-13-6-2-1-4-11(13)8-9-15(16)23-10-12-5-3-7-14(17(12)20)18(21)22/h1-9H,10H2,(H,21,22)
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| InChIKey |
PYQSWCQSMBJKRG-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