General Information of the Compound
| Compound ID |
CP0427505
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| Compound Name |
2-[[5-[4-[[2-(3,4-dichlorophenyl)acetyl]amino]phenyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid
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| Structure |
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| Formula |
C20H18Cl2N4O3S
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| Molecular Weight |
465.362
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| Canonical SMILES |
CC(Sc1nnc(-c2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)n1C)C(O)=O
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| InChI |
InChI=1S/C20H18Cl2N4O3S/c1-11(19(28)29)30-20-25-24-18(26(20)2)13-4-6-14(7-5-13)23-17(27)10-12-3-8-15(21)16(22)9-12/h3-9,11H,10H2,1-2H3,(H,23,27)(H,28,29)
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| InChIKey |
RRTDYMUXCLOSQS-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