General Information of the Compound
| Compound ID |
CP0431605
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| Compound Name |
2,2-dimethyl-3-[[4-methyl-5-[4-(naphthalene-2-carbonylamino)phenyl]-1,2,4-triazol-3-yl]oxy]propanoic acid
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| Structure |
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| Formula |
C25H24N4O4
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| Molecular Weight |
444.491
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| Canonical SMILES |
Cn1c(OCC(C)(C)C(O)=O)nnc1-c1ccc(NC(=O)c2ccc3ccccc3c2)cc1
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| InChI |
InChI=1S/C25H24N4O4/c1-25(2,23(31)32)15-33-24-28-27-21(29(24)3)17-10-12-20(13-11-17)26-22(30)19-9-8-16-6-4-5-7-18(16)14-19/h4-14H,15H2,1-3H3,(H,26,30)(H,31,32)
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| InChIKey |
ONAIAPRXRRJXAV-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