General Information of the Compound
| Compound ID |
CP0426006
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| Compound Name |
CHEMBL4553054
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| Formula |
C16H9N3O3
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| Molecular Weight |
291.266
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| Canonical SMILES |
O\N=C1\c2ccccc2-c2nc3ccc(cc3nc12)C(O)=O
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| InChI |
InChI=1S/C16H9N3O3/c20-16(21)8-5-6-11-12(7-8)18-15-13(17-11)9-3-1-2-4-10(9)14(15)19-22/h1-7,22H,(H,20,21)/b19-14-
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| InChIKey |
PYABQVKREKYNJT-RGEXLXHISA-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: PT00998, Mitogen-activated protein kinase 10
Protein ID: PT00863, Mitogen-activated protein kinase 8
Protein ID: PT00872, Mitogen-activated protein kinase 9