General Information of the Compound
| Compound ID |
CP0462094
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| Compound Name |
2,2-dimethyl-3-[4-[2-methyl-4-(naphthalene-2-carbonylamino)phenyl]phenoxy]propanoic acid
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| Structure |
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| Formula |
C29H27NO4
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| Molecular Weight |
453.538
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| Canonical SMILES |
Cc1cc(NC(=O)c2ccc3ccccc3c2)ccc1-c1ccc(OCC(C)(C)C(O)=O)cc1
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| InChI |
InChI=1S/C29H27NO4/c1-19-16-24(30-27(31)23-9-8-20-6-4-5-7-22(20)17-23)12-15-26(19)21-10-13-25(14-11-21)34-18-29(2,3)28(32)33/h4-17H,18H2,1-3H3,(H,30,31)(H,32,33)
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| InChIKey |
RSTLKPBULLNJHH-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