General Information of the Compound
| Compound ID |
CP0439981
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| Compound Name |
2-[[4-methyl-5-[4-(naphthalene-2-carbonylamino)phenyl]-1,2,4-triazol-3-yl]sulfanyl]propanoic acid
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| Structure |
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| Formula |
C23H20N4O3S
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| Molecular Weight |
432.505
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| Canonical SMILES |
CC(Sc1nnc(-c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)n1C)C(O)=O
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| InChI |
InChI=1S/C23H20N4O3S/c1-14(22(29)30)31-23-26-25-20(27(23)2)16-9-11-19(12-10-16)24-21(28)18-8-7-15-5-3-4-6-17(15)13-18/h3-14H,1-2H3,(H,24,28)(H,29,30)
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| InChIKey |
GNONYCVIRMFUNY-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