General Information of the Compound
| Compound ID |
CP0452164
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| Compound Name |
2-[[5-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid
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| Structure |
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| Formula |
C19H16Cl2N4O3S
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| Molecular Weight |
451.335
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| Canonical SMILES |
CC(Sc1nnc(-c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)n1C)C(O)=O
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| InChI |
InChI=1S/C19H16Cl2N4O3S/c1-10(18(27)28)29-19-24-23-16(25(19)2)11-3-6-13(7-4-11)22-17(26)12-5-8-14(20)15(21)9-12/h3-10H,1-2H3,(H,22,26)(H,27,28)
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| InChIKey |
WWMLVGNQRBNFRK-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