General Information of the Compound
| Compound ID |
CP0447990
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| Compound Name |
5-chloro-2-(2-hydroxy-1-naphthalen-1-ylethyl)-4-(4-methoxyphenoxy)pyridazin-3-one
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| Structure |
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| Formula |
C23H19ClN2O4
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| Molecular Weight |
422.868
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| Canonical SMILES |
COc1ccc(Oc2c(Cl)cnn(C(CO)c3cccc4ccccc34)c2=O)cc1
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| InChI |
InChI=1S/C23H19ClN2O4/c1-29-16-9-11-17(12-10-16)30-22-20(24)13-25-26(23(22)28)21(14-27)19-8-4-6-15-5-2-3-7-18(15)19/h2-13,21,27H,14H2,1H3
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| InChIKey |
RUHUMVNQBCYKJX-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