General Information of the Compound
| Compound ID |
CP0439562
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| Compound Name |
7-(Cyclopropylmethyl-propyl-amino)-5-methyl-3-(2,4,6-trimethyl-phenyl)-3H-thiazolo[4,5-d]pyrimidine-2-thione
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| Structure |
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| Formula |
C22H28N4S2
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| Molecular Weight |
412.628
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| Canonical SMILES |
CCCN(CC1CC1)c1nc(C)nc2n(-c3c(C)cc(C)cc3C)c(=S)sc12
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| InChI |
InChI=1S/C22H28N4S2/c1-6-9-25(12-17-7-8-17)20-19-21(24-16(5)23-20)26(22(27)28-19)18-14(3)10-13(2)11-15(18)4/h10-11,17H,6-9,12H2,1-5H3
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| InChIKey |
GTUDMVRQWMSPCW-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