General Information of the Compound
| Compound ID |
CP0448008
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| Compound Name |
2-(anthracen-9-ylmethyl)-5-chloro-4-(4-methoxyphenoxy)pyridazin-3-one
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| Structure |
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| Formula |
C26H19ClN2O3
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| Molecular Weight |
442.902
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| Canonical SMILES |
COc1ccc(Oc2c(Cl)cnn(Cc3c4ccccc4cc4ccccc34)c2=O)cc1
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| InChI |
InChI=1S/C26H19ClN2O3/c1-31-19-10-12-20(13-11-19)32-25-24(27)15-28-29(26(25)30)16-23-21-8-4-2-6-17(21)14-18-7-3-5-9-22(18)23/h2-15H,16H2,1H3
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| InChIKey |
FLPSTPONVRFOSK-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