General Information of the Compound
| Compound ID |
CP0514429
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| Compound Name |
3-(2-bromo-4,6-dimethoxyphenyl)-N-butyl-N-ethyl-5-methyltriazolo[4,5-d]pyrimidin-7-amine
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| Structure |
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| Formula |
C19H25BrN6O2
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| Molecular Weight |
449.353
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| Canonical SMILES |
CCCCN(CC)c1nc(C)nc2n(nnc12)-c1c(Br)cc(OC)cc1OC
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| InChI |
InChI=1S/C19H25BrN6O2/c1-6-8-9-25(7-2)18-16-19(22-12(3)21-18)26(24-23-16)17-14(20)10-13(27-4)11-15(17)28-5/h10-11H,6-9H2,1-5H3
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| InChIKey |
NPQCPPKOPUBFSR-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