General Information of the Compound
| Compound ID |
CP0459506
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| Compound Name |
2-(4-butan-2-ylphenyl)-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 |
CCC(C)c1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(OC)cc2)c1=O
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| InChI |
InChI=1S/C21H21ClN2O3/c1-4-14(2)15-5-7-16(8-6-15)24-21(25)20(19(22)13-23-24)27-18-11-9-17(26-3)10-12-18/h5-14H,4H2,1-3H3
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| InChIKey |
XHLWOIFBYQQXRI-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