General Information of the Compound
| Compound ID |
CP0761015
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| Compound Name |
2-(5-methyl-4-(7-oxo-3-azaspiro[5.5]undecane-3-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 |
C21H24N6O3
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| Molecular Weight |
408.462
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| Canonical SMILES |
Cc1c(C(=O)N2CCC3(CCCCC3=O)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C21H24N6O3/c1-14-15(13-22-27(14)20-23-18(29)16-5-4-10-26(16)24-20)19(30)25-11-8-21(9-12-25)7-3-2-6-17(21)28/h4-5,10,13H,2-3,6-9,11-12H2,1H3,(H,23,24,29)
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| InChIKey |
DKSAWVWIJRERHE-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