General Information of the Compound
| Compound ID |
CP0461982
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| Compound Name |
1-[2-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenoxy]ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone
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| Structure |
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| Formula |
C22H24N4O3S
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| Molecular Weight |
424.526
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| Canonical SMILES |
CC(=O)N1CC2CN(CCOc3ccc(Oc4nc5ncccc5s4)cc3)CC2C1
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| InChI |
InChI=1S/C22H24N4O3S/c1-15(27)26-13-16-11-25(12-17(16)14-26)9-10-28-18-4-6-19(7-5-18)29-22-24-21-20(30-22)3-2-8-23-21/h2-8,16-17H,9-14H2,1H3
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| InChIKey |
IDNQVNKCKNBLIA-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