General Information of the Compound
| Compound ID |
CP0454799
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| Compound Name |
2-[4-[[(4-tert-butylbenzoyl)amino]methyl]phenoxy]acetic acid
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| Structure |
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| Formula |
C20H23NO4
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| Molecular Weight |
341.407
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(OCC(O)=O)cc1
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| InChI |
InChI=1S/C20H23NO4/c1-20(2,3)16-8-6-15(7-9-16)19(24)21-12-14-4-10-17(11-5-14)25-13-18(22)23/h4-11H,12-13H2,1-3H3,(H,21,24)(H,22,23)
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| InChIKey |
FQEJUDVAQJIYGZ-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