General Information of the Compound
| Compound ID |
CP0430262
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| Compound Name |
4-(4-methoxyphenoxy)-2-p-cumenyl-5-vinyl-pyridazin-3-one
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| Structure |
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| Formula |
C22H22N2O3
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| Molecular Weight |
362.429
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| Canonical SMILES |
COc1ccc(Oc2c(C=C)cnn(-c3ccc(cc3)C(C)C)c2=O)cc1
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| InChI |
InChI=1S/C22H22N2O3/c1-5-16-14-23-24(18-8-6-17(7-9-18)15(2)3)22(25)21(16)27-20-12-10-19(26-4)11-13-20/h5-15H,1H2,2-4H3
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| InChIKey |
NIFLUUBQJCFNNC-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