General Information of the Compound
| Compound ID |
CP0823467
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| Compound Name |
2-(5-methyl-4-(6-(2,2,2-trifluoroethyl)-3,6-diazabicyclo[3.1.1]heptane-3-carbonyl)-1H-1,2,3-triazol-1-yl)pyrrolo[1,2-f][1,2,4]triazin-4(3H)-one
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| Structure |
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| Formula |
C17H17F3N8O2
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| Molecular Weight |
422.371
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| Canonical SMILES |
Cc1c(C(=O)N2CC3CC(C2)N3CC(F)(F)F)nnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C17H17F3N8O2/c1-9-13(15(30)25-6-10-5-11(7-25)26(10)8-17(18,19)20)22-24-28(9)16-21-14(29)12-3-2-4-27(12)23-16/h2-4,10-11H,5-8H2,1H3,(H,21,23,29)
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| InChIKey |
BUWZKZFCLRNPJO-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