General Information of the Compound
| Compound ID |
CP0447998
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| Compound Name |
5-chloro-4-(3-methoxyphenoxy)-2-(naphthalen-1-ylmethyl)pyridazin-3-one
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| Structure |
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| Formula |
C22H17ClN2O3
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| Molecular Weight |
392.842
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| Canonical SMILES |
COc1cccc(Oc2c(Cl)cnn(Cc3cccc4ccccc34)c2=O)c1
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| InChI |
InChI=1S/C22H17ClN2O3/c1-27-17-9-5-10-18(12-17)28-21-20(23)13-24-25(22(21)26)14-16-8-4-7-15-6-2-3-11-19(15)16/h2-13H,14H2,1H3
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| InChIKey |
SFETZMLNHBVZRI-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