General Information of the Compound
| Compound ID |
CP0891289
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| Compound Name |
2-(5-methyl-4-(3-(thiazol-2-yl)-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-1H-pyrazol-1-yl)pyrrolo[1,2-f][1,2,4]triazin-4(3H)-one
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| Structure |
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| Formula |
C20H20N8O2S
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| Molecular Weight |
436.501
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| Canonical SMILES |
Cc1c(C(=O)N2C3CCC2CN(c2nccs2)C3)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C20H20N8O2S/c1-12-15(9-22-28(12)19-23-17(29)16-3-2-7-26(16)24-19)18(30)27-13-4-5-14(27)11-25(10-13)20-21-6-8-31-20/h2-3,6-9,13-14H,4-5,10-11H2,1H3,(H,23,24,29)
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| InChIKey |
PDAOBEUMMSKXNF-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