General Information of the Compound
| Compound ID |
CP0964658
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| Compound Name |
1-(1-(5-methyl-1-(4-oxo-3,4-dihydropyrrolo[1,2-f][1,2,4]triazin-2-yl)-1H-pyrazole-4-carbonyl)piperidin-4-yl)cyclobutanecarbonitrile
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| Structure |
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| Formula |
C21H23N7O2
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| Molecular Weight |
405.462
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| Canonical SMILES |
Cc1c(C(=O)N2CCC(C3(C#N)CCC3)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C21H23N7O2/c1-14-16(12-23-28(14)20-24-18(29)17-4-2-9-27(17)25-20)19(30)26-10-5-15(6-11-26)21(13-22)7-3-8-21/h2,4,9,12,15H,3,5-8,10-11H2,1H3,(H,24,25,29)
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| InChIKey |
YWOKECJVLHRGHL-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