General Information of the Compound
| Compound ID |
CP0423486
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| Compound Name |
CHEMBL4863546
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| Formula |
C16H13N5O
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| Molecular Weight |
291.314
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| Canonical SMILES |
Cc1cc(=O)n2nc(-c3cn[nH]c3)c(-c3ccccc3)c2[nH]1
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| InChI |
InChI=1S/C16H13N5O/c1-10-7-13(22)21-16(19-10)14(11-5-3-2-4-6-11)15(20-21)12-8-17-18-9-12/h2-9,19H,1H3,(H,17,18)
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| InChIKey |
MZFAWCQJBYSXBE-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