General Information of the Compound
| Compound ID |
CP0459191
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| Compound Name |
methyl 4-oxo-2-piperidin-4-yl-3H-pyrazolo[1,5-a][1,3,5]triazine-8-carboxylate
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| Structure |
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| Formula |
C12H15N5O3
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| Molecular Weight |
277.284
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| Canonical SMILES |
COC(=O)c1cnn2c1nc([nH]c2=O)C1CCNCC1
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| InChI |
InChI=1S/C12H15N5O3/c1-20-11(18)8-6-14-17-10(8)15-9(16-12(17)19)7-2-4-13-5-3-7/h6-7,13H,2-5H2,1H3,(H,15,16,19)
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| InChIKey |
VUGPHVAOMCXZNZ-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