General Information of the Compound
| Compound ID |
CP0264047
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| Compound Name |
1-[5-[[5-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)-1-benzofuran-2-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone
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| Structure |
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| Formula |
C22H20N4O3S
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| Molecular Weight |
420.494
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| Canonical SMILES |
CC(=O)N1CC2CC1CN2Cc1cc2cc(Oc3nc4cccnc4s3)ccc2o1
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| InChI |
InChI=1S/C22H20N4O3S/c1-13(27)26-11-15-9-16(26)10-25(15)12-18-8-14-7-17(4-5-20(14)28-18)29-22-24-19-3-2-6-23-21(19)30-22/h2-8,15-16H,9-12H2,1H3
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| InChIKey |
WPGBXAGVMGVJEH-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