General Information of the Compound
| Compound ID |
CP0446886
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| Compound Name |
2-(4-tert-butylphenyl)-5-chloranyl-4-(4-methoxyphenoxy)pyridazin-3-one
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| Structure |
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| Formula |
C21H21ClN2O3
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| Molecular Weight |
384.863
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| Canonical SMILES |
COc1ccc(Oc2c(Cl)cnn(-c3ccc(cc3)C(C)(C)C)c2=O)cc1
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| InChI |
InChI=1S/C21H21ClN2O3/c1-21(2,3)14-5-7-15(8-6-14)24-20(25)19(18(22)13-23-24)27-17-11-9-16(26-4)10-12-17/h5-13H,1-4H3
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| InChIKey |
ZBGYDEFUZMXMMM-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