General Information of the Compound
| Compound ID |
CP0258561
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| Compound Name |
3-[(3-chloro-1,4-diketo-2-naphthyl)amino]benzoic acid
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| Structure |
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| Formula |
C17H10ClNO4
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| Molecular Weight |
327.723
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| Canonical SMILES |
OC(=O)c1cccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)c1
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| InChI |
InChI=1S/C17H10ClNO4/c18-13-14(19-10-5-3-4-9(8-10)17(22)23)16(21)12-7-2-1-6-11(12)15(13)20/h1-8,19H,(H,22,23)
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| InChIKey |
TYLPTGMQARBNQU-UHFFFAOYSA-N
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| CAS |
64505-58-4
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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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000040 | THP-1 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 8600 nM
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