General Information of the Compound
| Compound ID |
CP0471749
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| Compound Name |
CHEMBL4449918
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| Formula |
C17H13N3O
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| Molecular Weight |
275.311
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| Canonical SMILES |
Cc1cc2nc3\C(=N/O)c4ccccc4-c3nc2cc1C
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| InChI |
InChI=1S/C17H13N3O/c1-9-7-13-14(8-10(9)2)19-17-15(18-13)11-5-3-4-6-12(11)16(17)20-21/h3-8,21H,1-2H3/b20-16-
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| InChIKey |
NERJSNYOGGKVRR-SILNSSARSA-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