General Information of the Compound
| Compound ID |
CP0391411
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| Compound Name |
CHEMBL80121
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| Formula |
C13H10ClN3O
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| Molecular Weight |
259.696
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| Canonical SMILES |
CC(=O)Nc1cc(Cl)cc2c1nc1c[nH]ccc21
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| InChI |
InChI=1S/C13H10ClN3O/c1-7(18)16-11-5-8(14)4-10-9-2-3-15-6-12(9)17-13(10)11/h2-6,15H,1H3,(H,16,18)
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| InChIKey |
HDACOAKBOPERNS-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