General Information of the Compound
| Compound ID |
CP0474079
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| Compound Name |
2-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-3-methyl-6H-pyrido[2,3-d]pyridazin-5-one
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| Structure |
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| Formula |
C19H21N5O3
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| Molecular Weight |
367.409
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| Canonical SMILES |
COc1ccc(OC2CCN(CC2)c2nc3cn[nH]c(=O)c3cc2C)cn1
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| InChI |
InChI=1S/C19H21N5O3/c1-12-9-15-16(11-21-23-19(15)25)22-18(12)24-7-5-13(6-8-24)27-14-3-4-17(26-2)20-10-14/h3-4,9-11,13H,5-8H2,1-2H3,(H,23,25)
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| InChIKey |
QUZKCQPDWULNCJ-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