General Information of the Compound
| Compound ID |
CP0552925
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| Compound Name |
2-(5-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(3-cyclopropyl-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 |
C17H17ClN6OS2
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| Molecular Weight |
420.951
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| Canonical SMILES |
Cc1sc2ncnc(SCC(=O)N3CCn4c(C3)nnc4C3CC3)c2c1Cl
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| InChI |
InChI=1S/C17H17ClN6OS2/c1-9-14(18)13-16(19-8-20-17(13)27-9)26-7-12(25)23-4-5-24-11(6-23)21-22-15(24)10-2-3-10/h8,10H,2-7H2,1H3
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| InChIKey |
XCXORGDGYPDHFO-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