General Information of the Compound
| Compound ID |
CP0059453
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| Compound Name |
2-[4-[(4-aminopyrimidin-5-yl)methyl]-3-methylthiophen-2-yl]ethanol
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| Structure |
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| Formula |
C12H15N3OS
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| Molecular Weight |
249.339
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| Canonical SMILES |
Cc1c(Cc2cncnc2N)csc1CCO
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| InChI |
InChI=1S/C12H15N3OS/c1-8-10(6-17-11(8)2-3-16)4-9-5-14-7-15-12(9)13/h5-7,16H,2-4H2,1H3,(H2,13,14,15)
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| InChIKey |
MEZQUELVNWOHDN-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