General Information of the Compound
| Compound ID |
CP0966690
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| Compound Name |
2-(4-(3-((S)-3-fluoropiperidin-1-yl)pyrrolidine-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 |
C20H24FN7O2
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| Molecular Weight |
413.457
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| Canonical SMILES |
Cc1c(C(=O)N2CCC(N3CCC[C@H](F)C3)C2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C20H24FN7O2/c1-13-16(10-22-28(13)20-23-18(29)17-5-3-8-27(17)24-20)19(30)26-9-6-15(12-26)25-7-2-4-14(21)11-25/h3,5,8,10,14-15H,2,4,6-7,9,11-12H2,1H3,(H,23,24,29)/t14-,15?/m0/s1
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| InChIKey |
BNFVFPTWSZNIDJ-MLCCFXAWSA-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