General Information of the Compound
| Compound ID |
CP0754196
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| Compound Name |
2-(5-methyl-4-(9-methylene-3-azabicyclo[3.3.1]nonane-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 |
C20H22N6O2
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| Molecular Weight |
378.436
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| Canonical SMILES |
C=C1C2CCCC1CN(C(=O)c1cnn(-c3nn4cccc4c(=O)[nH]3)c1C)C2
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| InChI |
InChI=1S/C20H22N6O2/c1-12-14-5-3-6-15(12)11-24(10-14)19(28)16-9-21-26(13(16)2)20-22-18(27)17-7-4-8-25(17)23-20/h4,7-9,14-15H,1,3,5-6,10-11H2,2H3,(H,22,23,27)
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| InChIKey |
AFPPZXZFGFHEQJ-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