General Information of the Compound
| Compound ID |
CP0521966
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| Compound Name |
(1-Ethyl-propyl)-[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 |
C19H26N6
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| Molecular Weight |
338.459
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| Canonical SMILES |
CCC(CC)Nc1nc(C)nc2n(nnc12)-c1c(C)cc(C)cc1C
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| InChI |
InChI=1S/C19H26N6/c1-7-15(8-2)22-18-16-19(21-14(6)20-18)25(24-23-16)17-12(4)9-11(3)10-13(17)5/h9-10,15H,7-8H2,1-6H3,(H,20,21,22)
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| InChIKey |
KINWKEYFDKNBQH-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