General Information of the Compound
| Compound ID |
CP0447993
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| Compound Name |
5-chloro-2-(naphthalen-1-ylmethyl)-4-(3,4,5-trimethoxyphenoxy)pyridazin-3-one
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| Structure |
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| Formula |
C24H21ClN2O5
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| Molecular Weight |
452.894
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| Canonical SMILES |
COc1cc(Oc2c(Cl)cnn(Cc3cccc4ccccc34)c2=O)cc(OC)c1OC
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| InChI |
InChI=1S/C24H21ClN2O5/c1-29-20-11-17(12-21(30-2)23(20)31-3)32-22-19(25)13-26-27(24(22)28)14-16-9-6-8-15-7-4-5-10-18(15)16/h4-13H,14H2,1-3H3
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| InChIKey |
GINWYJKZPCNHKO-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