General Information of the Compound
| Compound ID |
CP0526877
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| Compound Name |
2-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)sulfanylacetic acid
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| Structure |
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| Formula |
C9H9N3O2S
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| Molecular Weight |
223.257
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| Canonical SMILES |
Cn1ccc2c(SCC(O)=O)ncnc12
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| InChI |
InChI=1S/C9H9N3O2S/c1-12-3-2-6-8(12)10-5-11-9(6)15-4-7(13)14/h2-3,5H,4H2,1H3,(H,13,14)
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| InChIKey |
IWXDVSABCGNJFX-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