General Information of the Compound
| Compound ID |
CP0497337
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| Compound Name |
2,2-dimethyl-3-[5-[4-(naphthalene-2-carbonylamino)phenyl]pyridin-2-yl]oxypropanoic acid
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| Structure |
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| Formula |
C27H24N2O4
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| Molecular Weight |
440.499
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| Canonical SMILES |
CC(C)(COc1ccc(cn1)-c1ccc(NC(=O)c2ccc3ccccc3c2)cc1)C(O)=O
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| InChI |
InChI=1S/C27H24N2O4/c1-27(2,26(31)32)17-33-24-14-11-22(16-28-24)19-9-12-23(13-10-19)29-25(30)21-8-7-18-5-3-4-6-20(18)15-21/h3-16H,17H2,1-2H3,(H,29,30)(H,31,32)
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| InChIKey |
VIUDPXQUWDGJQH-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: PT02560, Diacylglycerol O-acyltransferase 1
Protein ID: PT02536, Diacylglycerol O-acyltransferase 1