General Information of the Compound
| Compound ID |
CP0754201
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| Compound Name |
tert-butyl 3-methyl-1-(5-methyl-1-(4-oxo-3,4-dihydropyrrolo[1,2-f][1,2,4]triazin-2-yl)-1H-pyrazole-4-carbonyl)azetidin-3-ylcarbamate
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| Structure |
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| Formula |
C20H25N7O4
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| Molecular Weight |
427.465
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| Canonical SMILES |
Cc1c(C(=O)N2CC(C)(NC(=O)OC(C)(C)C)C2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C20H25N7O4/c1-12-13(9-21-27(12)17-22-15(28)14-7-6-8-26(14)24-17)16(29)25-10-20(5,11-25)23-18(30)31-19(2,3)4/h6-9H,10-11H2,1-5H3,(H,23,30)(H,22,24,28)
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| InChIKey |
AVMGSLRDLFQYOU-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