General Information of the Compound
| Compound ID |
CP0521120
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| Compound Name |
2-(5-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]ethanone
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| Structure |
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| Formula |
C15H12ClF3N6OS2
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| Molecular Weight |
448.883
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| Canonical SMILES |
Cc1sc2ncnc(SCC(=O)N3CCn4nc(nc4C3)C(F)(F)F)c2c1Cl
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| InChI |
InChI=1S/C15H12ClF3N6OS2/c1-7-11(16)10-12(20-6-21-13(10)28-7)27-5-9(26)24-2-3-25-8(4-24)22-14(23-25)15(17,18)19/h6H,2-5H2,1H3
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| InChIKey |
PIZZIQUTOXLDRU-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