General Information of the Compound
| Compound ID |
CP0427507
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| Compound Name |
2-[[4-methyl-5-[4-[(4-methylbenzoyl)amino]phenyl]-1,2,4-triazol-3-yl]sulfanyl]propanoic acid
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| Structure |
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| Formula |
C20H20N4O3S
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| Molecular Weight |
396.472
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| Canonical SMILES |
CC(Sc1nnc(-c2ccc(NC(=O)c3ccc(C)cc3)cc2)n1C)C(O)=O
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| InChI |
InChI=1S/C20H20N4O3S/c1-12-4-6-15(7-5-12)18(25)21-16-10-8-14(9-11-16)17-22-23-20(24(17)3)28-13(2)19(26)27/h4-11,13H,1-3H3,(H,21,25)(H,26,27)
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| InChIKey |
UQXUOPDOOLWWND-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