General Information of the Compound
| Compound ID |
CP0450484
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| Compound Name |
[2-[4-chloro-5-(4-methoxyphenoxy)-6-oxopyridazin-1-yl]-2-naphthalen-1-ylethyl] acetate
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| Structure |
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| Formula |
C25H21ClN2O5
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| Molecular Weight |
464.905
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| Canonical SMILES |
COc1ccc(Oc2c(Cl)cnn(C(COC(C)=O)c3cccc4ccccc34)c2=O)cc1
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| InChI |
InChI=1S/C25H21ClN2O5/c1-16(29)32-15-23(21-9-5-7-17-6-3-4-8-20(17)21)28-25(30)24(22(26)14-27-28)33-19-12-10-18(31-2)11-13-19/h3-14,23H,15H2,1-2H3
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| InChIKey |
AQOQQCIZUAZFGM-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