General Information of the Compound
| Compound ID |
CP0954046
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| Compound Name |
2-(4-(5-methyl-1-(4-oxo-3,4-dihydropyrrolo[1,2-f][1,2,4]triazin-2-yl)-1H-pyrazole-4-carbonyl)piperazin-1-yl)-2-(thiophen-2-yl)acetonitrile
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| Structure |
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| Formula |
C21H20N8O2S
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| Molecular Weight |
448.512
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| Canonical SMILES |
Cc1c(C(=O)N2CCN(C(C#N)c3cccs3)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C21H20N8O2S/c1-14-15(13-23-29(14)21-24-19(30)16-4-2-6-28(16)25-21)20(31)27-9-7-26(8-10-27)17(12-22)18-5-3-11-32-18/h2-6,11,13,17H,7-10H2,1H3,(H,24,25,30)
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| InChIKey |
WPDARJZUNYQHLT-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