General Information of the Compound
| Compound ID |
CP0460664
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| Compound Name |
methyl 4-chloro-5-(4-methoxyphenoxy)-6-oxo-1-(4-propan-2-ylphenyl)pyridazine-3-carboxylate
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| Structure |
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| Formula |
C22H21ClN2O5
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| Molecular Weight |
428.872
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| Canonical SMILES |
COC(=O)c1nn(-c2ccc(cc2)C(C)C)c(=O)c(Oc2ccc(OC)cc2)c1Cl
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| InChI |
InChI=1S/C22H21ClN2O5/c1-13(2)14-5-7-15(8-6-14)25-21(26)20(18(23)19(24-25)22(27)29-4)30-17-11-9-16(28-3)10-12-17/h5-13H,1-4H3
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| InChIKey |
HCXNDGUEOFYEOX-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