General Information of the Compound
| Compound ID |
CP0520230
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| Compound Name |
3-(2-bromo-4-propan-2-ylphenyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-methyltriazolo[4,5-d]pyrimidin-7-amine
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| Structure |
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| Formula |
C21H29BrN6O2
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| Molecular Weight |
477.407
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| Canonical SMILES |
COCCCN(CCOC)c1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
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| InChI |
InChI=1S/C21H29BrN6O2/c1-14(2)16-7-8-18(17(22)13-16)28-21-19(25-26-28)20(23-15(3)24-21)27(10-12-30-5)9-6-11-29-4/h7-8,13-14H,6,9-12H2,1-5H3
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| InChIKey |
IGWGYHIRJPFBAA-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