General Information of the Compound
| Compound ID |
CP0441331
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| Compound Name |
2,2-dimethyl-3-[4-[4-(naphthalene-2-carbonylamino)phenyl]phenoxy]propanoic acid
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| Structure |
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| Formula |
C28H25NO4
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| Molecular Weight |
439.511
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| Canonical SMILES |
CC(C)(COc1ccc(cc1)-c1ccc(NC(=O)c2ccc3ccccc3c2)cc1)C(O)=O
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| InChI |
InChI=1S/C28H25NO4/c1-28(2,27(31)32)18-33-25-15-11-21(12-16-25)20-9-13-24(14-10-20)29-26(30)23-8-7-19-5-3-4-6-22(19)17-23/h3-17H,18H2,1-2H3,(H,29,30)(H,31,32)
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| InChIKey |
BVHOAVNCHQDDFP-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
Protein ID: PT02536, Diacylglycerol O-acyltransferase 1
Protein ID: PT02560, Diacylglycerol O-acyltransferase 1