General Information of the Compound
| Compound ID |
CP0913620
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| Compound Name |
2-(4-(2-azabicyclo[2.1.1]hexane-2-carbonyl)-5-methyl-1H-pyrazol-1-yl)pyrrolo[1,2-f][1,2,4]triazin-4(3H)-one
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| Structure |
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| Formula |
C16H16N6O2
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| Molecular Weight |
324.344
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| Canonical SMILES |
Cc1c(C(=O)N2CC3CC2C3)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C16H16N6O2/c1-9-12(15(24)20-8-10-5-11(20)6-10)7-17-22(9)16-18-14(23)13-3-2-4-21(13)19-16/h2-4,7,10-11H,5-6,8H2,1H3,(H,18,19,23)
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| InChIKey |
OBIQQCBQAQBLHL-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