General Information of the Compound
| Compound ID |
CP0423487
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| Compound Name |
CHEMBL4858279
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| Formula |
C16H12N4OS
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| Molecular Weight |
308.366
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| Canonical SMILES |
Cc1cc(=O)n2nc(-c3nccs3)c(-c3ccccc3)c2[nH]1
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| InChI |
InChI=1S/C16H12N4OS/c1-10-9-12(21)20-15(18-10)13(11-5-3-2-4-6-11)14(19-20)16-17-7-8-22-16/h2-9,18H,1H3
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| InChIKey |
JQIPBBIHUSONHX-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