General Information of the Compound
| Compound ID |
CP0838160
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| Compound Name |
tert-butyl 1-(5-methyl-1-(4-oxo-3,4-dihydropyrrolo[1,2-f][1,2,4]triazin-2-yl)-1H-pyrazole-4-carbonyl)-3-(trifluoromethyl)pyrrolidin-3-ylcarbamate
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| Structure |
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| Formula |
C21H24F3N7O4
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| Molecular Weight |
495.462
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| Canonical SMILES |
Cc1c(C(=O)N2CCC(NC(=O)OC(C)(C)C)(C(F)(F)F)C2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C21H24F3N7O4/c1-12-13(10-25-31(12)17-26-15(32)14-6-5-8-30(14)28-17)16(33)29-9-7-20(11-29,21(22,23)24)27-18(34)35-19(2,3)4/h5-6,8,10H,7,9,11H2,1-4H3,(H,27,34)(H,26,28,32)
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| InChIKey |
BKXFWBCRCWNEBC-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