General Information of the Compound
| Compound ID |
CP0222617
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| Compound Name |
2-[4-[[4-amino-2-(trifluoromethyl)pyrimidin-5-yl]methyl]-3-methylthiophen-2-yl]ethanol
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| Structure |
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| Formula |
C13H14F3N3OS
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| Molecular Weight |
317.336
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| Canonical SMILES |
Cc1c(Cc2cnc(nc2N)C(F)(F)F)csc1CCO
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| InChI |
InChI=1S/C13H14F3N3OS/c1-7-9(6-21-10(7)2-3-20)4-8-5-18-12(13(14,15)16)19-11(8)17/h5-6,20H,2-4H2,1H3,(H2,17,18,19)
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| InChIKey |
WOWPAXLLLPVQGK-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