General Information of the Compound
| Compound ID |
CP0421066
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| Compound Name |
2-(5-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
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| Structure |
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| Formula |
C16H17ClN6OS2
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| Molecular Weight |
408.94
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| Canonical SMILES |
CCc1nnc2CN(CCn12)C(=O)CSc1ncnc2sc(C)c(Cl)c12
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| InChI |
InChI=1S/C16H17ClN6OS2/c1-3-10-20-21-11-6-22(4-5-23(10)11)12(24)7-25-15-13-14(17)9(2)26-16(13)19-8-18-15/h8H,3-7H2,1-2H3
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| InChIKey |
RVNBSDDELNEXDX-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