General Information of the Compound
| Compound ID |
CP0772458
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| Compound Name |
2-(4-hydroxy-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)butanenitrile
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| Structure |
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| Formula |
C20H23N7O3
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| Molecular Weight |
409.45
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| Canonical SMILES |
CCC(C#N)C1(O)CCN(C(=O)c2cnn(-c3nn4cccc4c(=O)[nH]3)c2C)CC1
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| InChI |
InChI=1S/C20H23N7O3/c1-3-14(11-21)20(30)6-9-25(10-7-20)18(29)15-12-22-27(13(15)2)19-23-17(28)16-5-4-8-26(16)24-19/h4-5,8,12,14,30H,3,6-7,9-10H2,1-2H3,(H,23,24,28)
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| InChIKey |
XTYDNXBVXBEVMY-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