General Information of the Compound
| Compound ID |
CP0831444
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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)thiazole-4-carbonitrile
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| Structure |
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| Formula |
C20H18N8O2S
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| Molecular Weight |
434.485
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| Canonical SMILES |
Cc1c(C(=O)N2CCC(c3nc(C#N)cs3)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C20H18N8O2S/c1-12-15(10-22-28(12)20-24-17(29)16-3-2-6-27(16)25-20)19(30)26-7-4-13(5-8-26)18-23-14(9-21)11-31-18/h2-3,6,10-11,13H,4-5,7-8H2,1H3,(H,24,25,29)
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| InChIKey |
BSKKVIMWYHJVQS-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