General Information of the Compound
| Compound ID |
CP0962637
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| Compound Name |
3-((4-cyclopropylphenoxy)methyl)benzoic acid
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| Structure |
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| Formula |
C17H16O3
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| Molecular Weight |
268.312
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| Canonical SMILES |
O=C(O)c1cccc(COc2ccc(C3CC3)cc2)c1
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| InChI |
InChI=1S/C17H16O3/c18-17(19)15-3-1-2-12(10-15)11-20-16-8-6-14(7-9-16)13-4-5-13/h1-3,6-10,13H,4-5,11H2,(H,18,19)
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| InChIKey |
FQRRWIRLPIVQRS-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