General Information of the Compound
| Compound ID |
CP0416981
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| Compound Name |
2-[[5-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetic acid
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| Structure |
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| Formula |
C24H18Cl2N4O3S
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| Molecular Weight |
513.406
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| Canonical SMILES |
Cn1c(SC(C(O)=O)c2ccccc2)nnc1-c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1
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| InChI |
InChI=1S/C24H18Cl2N4O3S/c1-30-21(28-29-24(30)34-20(23(32)33)14-5-3-2-4-6-14)15-7-10-17(11-8-15)27-22(31)16-9-12-18(25)19(26)13-16/h2-13,20H,1H3,(H,27,31)(H,32,33)
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| InChIKey |
HCVRAOLSBVFSFU-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