General Information of the Compound
| Compound ID |
CP0964269
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| Compound Name |
N-methyl-N-(8-(5-methyl-1-(4-oxo-3,4-dihydropyrrolo[1,2-f][1,2,4]triazin-2-yl)-1H-pyrazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl)benzamide
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| Structure |
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| Formula |
C26H27N7O3
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| Molecular Weight |
485.548
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| Canonical SMILES |
Cc1c(C(=O)N2C3CCC2CC(N(C)C(=O)c2ccccc2)C3)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C26H27N7O3/c1-16-21(15-27-33(16)26-28-23(34)22-9-6-12-31(22)29-26)25(36)32-18-10-11-19(32)14-20(13-18)30(2)24(35)17-7-4-3-5-8-17/h3-9,12,15,18-20H,10-11,13-14H2,1-2H3,(H,28,29,34)
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| InChIKey |
GIRYJMHDTLZSGL-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