General Information of the Compound
| Compound ID |
CP0540604
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| Compound Name |
Benzyl-[3-(2-bromo-4-isopropyl-phenyl)-5-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]-(2-methoxy-ethyl)-amine
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| Structure |
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| Formula |
C24H27BrN6O
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| Molecular Weight |
495.425
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| Canonical SMILES |
COCCN(Cc1ccccc1)c1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
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| InChI |
InChI=1S/C24H27BrN6O/c1-16(2)19-10-11-21(20(25)14-19)31-24-22(28-29-31)23(26-17(3)27-24)30(12-13-32-4)15-18-8-6-5-7-9-18/h5-11,14,16H,12-13,15H2,1-4H3
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| InChIKey |
XVAQMBKVKIZPPY-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