General Information of the Compound
| Compound ID |
CP0829386
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| Compound Name |
tert-butyl 8-(5-methyl-1-(4-oxo-3,4-dihydropyrrolo[1,2-f][1,2,4]triazin-2-yl)-1H-pyrazole-4-carbonyl)-3,8-diazabicyclo[3.2.1]octane-3-carboxylate
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| Structure |
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| Formula |
C22H27N7O4
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| Molecular Weight |
453.503
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| Canonical SMILES |
Cc1c(C(=O)N2C3CCC2CN(C(=O)OC(C)(C)C)C3)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C22H27N7O4/c1-13-16(10-23-29(13)20-24-18(30)17-6-5-9-27(17)25-20)19(31)28-14-7-8-15(28)12-26(11-14)21(32)33-22(2,3)4/h5-6,9-10,14-15H,7-8,11-12H2,1-4H3,(H,24,25,30)
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| InChIKey |
MWSGCTVKNZBBRF-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