General Information of the Compound
| Compound ID |
CP0431132
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| Compound Name |
7-[Bis-(2-methoxy-ethyl)-amino]-3-(2-bromo-4-isopropyl-phenyl)-5-methyl-3H-thiazolo[4,5-d]pyrimidine-2-thione
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| Structure |
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| Formula |
C21H27BrN4O2S2
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| Molecular Weight |
511.511
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| Canonical SMILES |
COCCN(CCOC)c1nc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=S)sc12
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| InChI |
InChI=1S/C21H27BrN4O2S2/c1-13(2)15-6-7-17(16(22)12-15)26-20-18(30-21(26)29)19(23-14(3)24-20)25(8-10-27-4)9-11-28-5/h6-7,12-13H,8-11H2,1-5H3
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| InChIKey |
XBVQFWRXKFWOSH-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