General Information of the Compound
| Compound ID |
CP0500974
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| Compound Name |
Butyl-ethyl-[5-methyl-3-(2,4,6-trimethyl-phenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]-amine
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| Structure |
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| Formula |
C20H28N6
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| Molecular Weight |
352.486
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| Canonical SMILES |
CCCCN(CC)c1nc(C)nc2n(nnc12)-c1c(C)cc(C)cc1C
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| InChI |
InChI=1S/C20H28N6/c1-7-9-10-25(8-2)19-17-20(22-16(6)21-19)26(24-23-17)18-14(4)11-13(3)12-15(18)5/h11-12H,7-10H2,1-6H3
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| InChIKey |
GEROMDBSAVDGON-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