General Information of the Compound
| Compound ID |
CP0428258
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| Compound Name |
1-[5-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone
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| Structure |
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| Formula |
C21H22N4O2S
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| Molecular Weight |
394.5
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| Canonical SMILES |
CC(=O)N1CC2CC1CN2CCc1ccc(Oc2nc3ncccc3s2)cc1
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| InChI |
InChI=1S/C21H22N4O2S/c1-14(26)25-13-16-11-17(25)12-24(16)10-8-15-4-6-18(7-5-15)27-21-23-20-19(28-21)3-2-9-22-20/h2-7,9,16-17H,8,10-13H2,1H3
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| InChIKey |
QRMXENQNOMHOSJ-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