General Information of the Compound
| Compound ID |
CP0460890
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| Compound Name |
3-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-N,N-bis(2-methoxyethyl)-5-methyltriazolo[4,5-d]pyrimidin-7-amine
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| Structure |
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| Formula |
C20H26F3N7O2
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| Molecular Weight |
453.469
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| Canonical SMILES |
COCCN(CCOC)c1nc(C)nc2n(nnc12)-c1ccc(cc1C(F)(F)F)N(C)C
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| InChI |
InChI=1S/C20H26F3N7O2/c1-13-24-18(29(8-10-31-4)9-11-32-5)17-19(25-13)30(27-26-17)16-7-6-14(28(2)3)12-15(16)20(21,22)23/h6-7,12H,8-11H2,1-5H3
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| InChIKey |
ZWLXSGHCAVKDLL-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