General Information of the Compound
| Compound ID |
CP0545049
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| Compound Name |
3-[2-bromo-6-(dimethylamino)-4-methoxyphenyl]-N,N-bis(2-methoxyethyl)-5-methyltriazolo[4,5-d]pyrimidin-7-amine
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| Structure |
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| Formula |
C20H28BrN7O3
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| Molecular Weight |
494.394
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| Canonical SMILES |
COCCN(CCOC)c1nc(C)nc2n(nnc12)-c1c(Br)cc(OC)cc1N(C)C
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| InChI |
InChI=1S/C20H28BrN7O3/c1-13-22-19(27(7-9-29-4)8-10-30-5)17-20(23-13)28(25-24-17)18-15(21)11-14(31-6)12-16(18)26(2)3/h11-12H,7-10H2,1-6H3
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| InChIKey |
YQVKGBQHNVZCFM-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