General Information of the Compound
| Compound ID |
CP0544886
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| Compound Name |
2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine
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| Structure |
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| Formula |
C15H15N5OS2
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| Molecular Weight |
345.453
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| Canonical SMILES |
COc1cccc(c1)-c1nc(CSc2nc(N)cc(N)n2)cs1
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| InChI |
InChI=1S/C15H15N5OS2/c1-21-11-4-2-3-9(5-11)14-18-10(7-22-14)8-23-15-19-12(16)6-13(17)20-15/h2-7H,8H2,1H3,(H4,16,17,19,20)
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| InChIKey |
MWNSGZIJSDEJKP-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