General Information of the Compound
| Compound ID |
CP0461983
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| Compound Name |
1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenoxy]ethyl]piperidine-4-carboxamide
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| Structure |
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| Formula |
C20H22N4O3S
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| Molecular Weight |
398.488
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| Canonical SMILES |
NC(=O)C1CCN(CCOc2ccc(Oc3nc4ncccc4s3)cc2)CC1
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| InChI |
InChI=1S/C20H22N4O3S/c21-18(25)14-7-10-24(11-8-14)12-13-26-15-3-5-16(6-4-15)27-20-23-19-17(28-20)2-1-9-22-19/h1-6,9,14H,7-8,10-13H2,(H2,21,25)
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| InChIKey |
FLPSMGMQYQHPLM-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