General Information of the Compound
| Compound ID |
CP0471681
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| Compound Name |
2-[4-[[2-(3-tert-butylphenoxy)acetyl]amino]-2-fluorophenoxy]acetic acid
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| Structure |
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| Formula |
C20H22FNO5
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| Molecular Weight |
375.396
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| Canonical SMILES |
CC(C)(C)c1cccc(OCC(=O)Nc2ccc(OCC(O)=O)c(F)c2)c1
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| InChI |
InChI=1S/C20H22FNO5/c1-20(2,3)13-5-4-6-15(9-13)26-11-18(23)22-14-7-8-17(16(21)10-14)27-12-19(24)25/h4-10H,11-12H2,1-3H3,(H,22,23)(H,24,25)
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| InChIKey |
YIOIRODIQYIHQX-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