General Information of the Compound
| Compound ID |
CP0487584
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| Compound Name |
5-[(5-chloropyridin-2-yl)methoxy]-2-[2-[4-[(dimethylamino)methyl]phenyl]-2-oxoethyl]pyridazin-3-one
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| Structure |
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| Formula |
C21H21ClN4O3
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| Molecular Weight |
412.877
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| Canonical SMILES |
CN(C)Cc1ccc(cc1)C(=O)Cn1ncc(OCc2ccc(Cl)cn2)cc1=O
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| InChI |
InChI=1S/C21H21ClN4O3/c1-25(2)12-15-3-5-16(6-4-15)20(27)13-26-21(28)9-19(11-24-26)29-14-18-8-7-17(22)10-23-18/h3-11H,12-14H2,1-2H3
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| InChIKey |
VFUNTQYESAEXRV-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