General Information of the Compound
| Compound ID |
CP0514119
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| Compound Name |
5-chloro-2-(3,5-dimethylphenyl)-4-[4-(hydroxymethyl)phenoxy]pyridazin-3-one
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| Structure |
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| Formula |
C19H17ClN2O3
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| Molecular Weight |
356.809
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| Canonical SMILES |
Cc1cc(C)cc(c1)-n1ncc(Cl)c(Oc2ccc(CO)cc2)c1=O
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| InChI |
InChI=1S/C19H17ClN2O3/c1-12-7-13(2)9-15(8-12)22-19(24)18(17(20)10-21-22)25-16-5-3-14(11-23)4-6-16/h3-10,23H,11H2,1-2H3
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| InChIKey |
XKDNHBQJMNIODL-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