General Information of the Compound
| Compound ID |
CP0965417
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| Compound Name |
3-((4-chloro-2-cyano-5-fluorophenoxy)methyl)benzoic acid
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| Structure |
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| Formula |
C15H9ClFNO3
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| Molecular Weight |
305.692
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| Canonical SMILES |
N#Cc1cc(Cl)c(F)cc1OCc1cccc(C(=O)O)c1
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| InChI |
InChI=1S/C15H9ClFNO3/c16-12-5-11(7-18)14(6-13(12)17)21-8-9-2-1-3-10(4-9)15(19)20/h1-6H,8H2,(H,19,20)
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| InChIKey |
KVXYTHJTPUVVQD-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