General Information of the Compound
| Compound ID |
CP0458412
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| Compound Name |
2-[4-chloro-6-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-5-methylpyrimidin-2-yl]oxyethanol
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| Structure |
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| Formula |
C13H17ClN4O2S
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| Molecular Weight |
328.825
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| Canonical SMILES |
Cc1nc(C)c(CNc2nc(OCCO)nc(Cl)c2C)s1
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| InChI |
InChI=1S/C13H17ClN4O2S/c1-7-11(14)17-13(20-5-4-19)18-12(7)15-6-10-8(2)16-9(3)21-10/h19H,4-6H2,1-3H3,(H,15,17,18)
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| InChIKey |
OQKXTWNEIHEOIB-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