General Information of the Compound
| Compound ID |
CP0056384
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| Compound Name |
1-[5-[4-[(4-aminopyrimidin-2-yl)sulfanylmethyl]-5-propyl-1,3-thiazol-2-yl]-2-methoxyphenoxy]-2-methylpropan-2-ol
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| Structure |
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| Formula |
C22H28N4O3S2
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| Molecular Weight |
460.625
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| Canonical SMILES |
CCCc1sc(nc1CSc1nccc(N)n1)-c1ccc(OC)c(OCC(C)(C)O)c1
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| InChI |
InChI=1S/C22H28N4O3S2/c1-5-6-18-15(12-30-21-24-10-9-19(23)26-21)25-20(31-18)14-7-8-16(28-4)17(11-14)29-13-22(2,3)27/h7-11,27H,5-6,12-13H2,1-4H3,(H2,23,24,26)
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| InChIKey |
NYQACQFVQLHRLI-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