General Information of the Compound
| Compound ID |
CP0761014
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| Compound Name |
2-(5-methyl-4-(1-oxo-7-azaspiro[3.5]nonane-7-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 |
C19H20N6O3
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| Molecular Weight |
380.408
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| Canonical SMILES |
Cc1c(C(=O)N2CCC3(CCC3=O)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C19H20N6O3/c1-12-13(17(28)23-9-6-19(7-10-23)5-4-15(19)26)11-20-25(12)18-21-16(27)14-3-2-8-24(14)22-18/h2-3,8,11H,4-7,9-10H2,1H3,(H,21,22,27)
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| InChIKey |
ZFBGULDJTJXBGW-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