General Information of the Compound
| Compound ID |
CP0954047
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| Compound Name |
2-(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)pent-4-enenitrile
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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 |
C=CCC(C#N)C1CCN(C(=O)c2cnn(-c3nn4cccc4c(=O)[nH]3)c2C)CC1
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| InChI |
InChI=1S/C21H23N7O2/c1-3-5-16(12-22)15-7-10-26(11-8-15)20(30)17-13-23-28(14(17)2)21-24-19(29)18-6-4-9-27(18)25-21/h3-4,6,9,13,15-16H,1,5,7-8,10-11H2,2H3,(H,24,25,29)
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| InChIKey |
QGMPLAPJBZATBS-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