General Information of the Compound
| Compound ID |
CP0495589
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| Compound Name |
1-[1-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]piperidin-4-yl]pyrrolidin-2-one
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| Structure |
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| Formula |
C22H24N4O2S
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| Molecular Weight |
408.527
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| Canonical SMILES |
O=C1CCCN1C1CCN(Cc2ccc(Oc3nc4ncccc4s3)cc2)CC1
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| InChI |
InChI=1S/C22H24N4O2S/c27-20-4-2-12-26(20)17-9-13-25(14-10-17)15-16-5-7-18(8-6-16)28-22-24-21-19(29-22)3-1-11-23-21/h1,3,5-8,11,17H,2,4,9-10,12-15H2
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| InChIKey |
LZLBZTIIVTZXDK-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