General Information of the Compound
| Compound ID |
CP0497797
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| Compound Name |
Butyl-[3-(4-dimethylamino-2-trifluoromethyl-phenyl)-5-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]-ethyl-amine
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| Structure |
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| Formula |
C20H26F3N7
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| Molecular Weight |
421.471
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| Canonical SMILES |
CCCCN(CC)c1nc(C)nc2n(nnc12)-c1ccc(cc1C(F)(F)F)N(C)C
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| InChI |
InChI=1S/C20H26F3N7/c1-6-8-11-29(7-2)18-17-19(25-13(3)24-18)30(27-26-17)16-10-9-14(28(4)5)12-15(16)20(21,22)23/h9-10,12H,6-8,11H2,1-5H3
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| InChIKey |
BEUMNWWFWONTEF-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