General Information of the Compound
| Compound ID |
CP0155450
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| Compound Name |
3-[[3-(2-methoxyethoxy)quinolin-6-yl]methyl]-5-(3-methyl-1,2-thiazol-5-yl)triazolo[4,5-c]pyridin-4-one
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| Structure |
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| Formula |
C22H20N6O3S
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| Molecular Weight |
448.508
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| Canonical SMILES |
COCCOc1cnc2ccc(Cn3nnc4ccn(-c5cc(C)ns5)c(=O)c34)cc2c1
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| InChI |
InChI=1S/C22H20N6O3S/c1-14-9-20(32-25-14)27-6-5-19-21(22(27)29)28(26-24-19)13-15-3-4-18-16(10-15)11-17(12-23-18)31-8-7-30-2/h3-6,9-12H,7-8,13H2,1-2H3
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| InChIKey |
YHLFNYJSVQHEJN-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