General Information of the Compound
| Compound ID |
CP0455386
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| Compound Name |
3-[4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-2-yl)methoxy]-2-fluorophenyl]propanoic acid
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| Structure |
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| Formula |
C18H16BrFO5
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| Molecular Weight |
411.223
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| Canonical SMILES |
OC(=O)CCc1ccc(OCC2COc3cc(Br)ccc3O2)cc1F
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| InChI |
InChI=1S/C18H16BrFO5/c19-12-3-5-16-17(7-12)24-10-14(25-16)9-23-13-4-1-11(15(20)8-13)2-6-18(21)22/h1,3-5,7-8,14H,2,6,9-10H2,(H,21,22)
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| InChIKey |
ZQZCYRNBPNQKNP-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