General Information of the Compound
| Compound ID |
CP0418874
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| Compound Name |
3-(2-bromo-4-propan-2-ylphenyl)-5-methyl-N-nonan-5-yltriazolo[4,5-d]pyrimidin-7-amine
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| Structure |
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| Formula |
C23H33BrN6
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| Molecular Weight |
473.463
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| Canonical SMILES |
CCCCC(CCCC)Nc1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
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| InChI |
InChI=1S/C23H33BrN6/c1-6-8-10-18(11-9-7-2)27-22-21-23(26-16(5)25-22)30(29-28-21)20-13-12-17(15(3)4)14-19(20)24/h12-15,18H,6-11H2,1-5H3,(H,25,26,27)
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| InChIKey |
NYRQHEOTFKTIBY-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