General Information of the Compound
| Compound ID |
CP0962070
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| Compound Name |
2-(4-(4-fluoro-4-(pyridin-2-yl)piperidine-1-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 |
C21H20FN7O2
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| Molecular Weight |
421.436
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| Canonical SMILES |
Cc1c(C(=O)N2CCC(F)(c3ccccn3)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C21H20FN7O2/c1-14-15(13-24-29(14)20-25-18(30)16-5-4-10-28(16)26-20)19(31)27-11-7-21(22,8-12-27)17-6-2-3-9-23-17/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,25,26,30)
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| InChIKey |
RRGZELAASMLKNU-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