General Information of the Compound
| Compound ID |
CP0170157
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| Compound Name |
3-[(3-Methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]propanoic acid
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| Structure |
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| Formula |
C14H12O4S
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| Molecular Weight |
276.313
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| Canonical SMILES |
CC1=C(SCCC(O)=O)C(=O)c2ccccc2C1=O
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| InChI |
InChI=1S/C14H12O4S/c1-8-12(17)9-4-2-3-5-10(9)13(18)14(8)19-7-6-11(15)16/h2-5H,6-7H2,1H3,(H,15,16)
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| InChIKey |
YQPMAEULEMJCMG-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: PT02293, Dual specificity mitogen-activated protein kinase kinase 7
Cell Viability or Cytotoxicity Assay