General Information of the Compound
| Compound ID |
CP0698027
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| Compound Name |
2-(5-methyl-4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-5-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 |
C17H16N8O2
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| Molecular Weight |
364.369
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| Canonical SMILES |
Cc1c(C(=O)N2CCc3[nH]ncc3C2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C17H16N8O2/c1-10-12(16(27)23-6-4-13-11(9-23)7-18-21-13)8-19-25(10)17-20-15(26)14-3-2-5-24(14)22-17/h2-3,5,7-8H,4,6,9H2,1H3,(H,18,21)(H,20,22,26)
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| InChIKey |
VFMWMWRPOVCMBL-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