General Information of the Compound
| Compound ID |
CP0746917
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| Compound Name |
1-ethyl-6-(5-methyl-1-(4-oxo-3,4-dihydropyrrolo[1,2-f][1,2,4]triazin-2-yl)-1H-pyrazole-4-carbonyl)-6-azaspiro[2.5]octane-1-carbonitrile
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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 |
CCC1(C#N)CC12CCN(C(=O)c1cnn(-c3nn4cccc4c(=O)[nH]3)c1C)CC2
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| InChI |
InChI=1S/C21H23N7O2/c1-3-20(13-22)12-21(20)6-9-26(10-7-21)18(30)15-11-23-28(14(15)2)19-24-17(29)16-5-4-8-27(16)25-19/h4-5,8,11H,3,6-7,9-10,12H2,1-2H3,(H,24,25,29)
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| InChIKey |
XGGNMXOVRUJHNE-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