General Information of the Compound
| Compound ID |
CP0485169
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| Compound Name |
3-(2-bromo-4-propan-2-ylphenyl)-N-(2-methoxyethyl)-5-methyl-N-(pyridin-3-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine
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| Structure |
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| Formula |
C23H26BrN7O
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| Molecular Weight |
496.413
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| Canonical SMILES |
COCCN(Cc1cccnc1)c1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
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| InChI |
InChI=1S/C23H26BrN7O/c1-15(2)18-7-8-20(19(24)12-18)31-23-21(28-29-31)22(26-16(3)27-23)30(10-11-32-4)14-17-6-5-9-25-13-17/h5-9,12-13,15H,10-11,14H2,1-4H3
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| InChIKey |
NWVIBGZOEPJUEP-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