General Information of the Compound
| Compound ID |
CP0388733
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| Compound Name |
3-[4-methyl-5-[4-(naphthalene-2-carbonylamino)phenyl]-1,2,4-triazol-3-yl]propanoic acid
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| Structure |
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| Formula |
C23H20N4O3
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| Molecular Weight |
400.438
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| Canonical SMILES |
Cn1c(CCC(O)=O)nnc1-c1ccc(NC(=O)c2ccc3ccccc3c2)cc1
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| InChI |
InChI=1S/C23H20N4O3/c1-27-20(12-13-21(28)29)25-26-22(27)16-8-10-19(11-9-16)24-23(30)18-7-6-15-4-2-3-5-17(15)14-18/h2-11,14H,12-13H2,1H3,(H,24,30)(H,28,29)
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| InChIKey |
UDGUIMYKGUQDSW-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