General Information of the Compound
| Compound ID |
CP0558194
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| Compound Name |
N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]-2-[4-[2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)ethyl]piperazin-1-yl]acetamide
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| Structure |
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| Formula |
C22H28N6O2S3
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| Molecular Weight |
504.707
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| Canonical SMILES |
CSc1cc(C)nc(SC)c1NC(=O)CN1CCN(CCSc2nc3ncccc3o2)CC1
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| InChI |
InChI=1S/C22H28N6O2S3/c1-15-13-17(31-2)19(21(24-15)32-3)25-18(29)14-28-9-7-27(8-10-28)11-12-33-22-26-20-16(30-22)5-4-6-23-20/h4-6,13H,7-12,14H2,1-3H3,(H,25,29)
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| InChIKey |
XYHAZQCTATWYDN-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