General Information of the Compound
| Compound ID |
CP0420296
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| Compound Name |
2-[5-[4-[(4-aminopyrimidin-2-yl)sulfanylmethyl]-5-propyl-1,3-thiazol-2-yl]-2-methoxyphenoxy]ethanol
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| Structure |
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| Formula |
C20H24N4O3S2
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| Molecular Weight |
432.571
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| Canonical SMILES |
CCCc1sc(nc1CSc1nccc(N)n1)-c1ccc(OC)c(OCCO)c1
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| InChI |
InChI=1S/C20H24N4O3S2/c1-3-4-17-14(12-28-20-22-8-7-18(21)24-20)23-19(29-17)13-5-6-15(26-2)16(11-13)27-10-9-25/h5-8,11,25H,3-4,9-10,12H2,1-2H3,(H2,21,22,24)
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| InChIKey |
OPPBRTLMYQRLRH-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