General Information of the Compound
| Compound ID |
CP0445500
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| Compound Name |
2-[2-[4-[(dimethylamino)methyl]phenyl]-2-oxoethyl]-5-phenylmethoxypyridazin-3-one
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| Structure |
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| Formula |
C22H23N3O3
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| Molecular Weight |
377.444
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| Canonical SMILES |
CN(C)Cc1ccc(cc1)C(=O)Cn1ncc(OCc2ccccc2)cc1=O
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| InChI |
InChI=1S/C22H23N3O3/c1-24(2)14-17-8-10-19(11-9-17)21(26)15-25-22(27)12-20(13-23-25)28-16-18-6-4-3-5-7-18/h3-13H,14-16H2,1-2H3
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| InChIKey |
KEOJYJBBADDXCT-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