General Information of the Compound
| Compound ID |
CP0768977
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| Compound Name |
1-(5-methyl-1-(4-oxo-3,4-dihydropyrrolo[1,2-f][1,2,4]triazin-2-yl)-1H-pyrazole-4-carbonyl)-4-(2,2,2-trifluoroethyl)piperidine-4-carbonitrile
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| Structure |
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| Formula |
C19H18F3N7O2
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| Molecular Weight |
433.394
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| Canonical SMILES |
Cc1c(C(=O)N2CCC(C#N)(CC(F)(F)F)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C19H18F3N7O2/c1-12-13(9-24-29(12)17-25-15(30)14-3-2-6-28(14)26-17)16(31)27-7-4-18(11-23,5-8-27)10-19(20,21)22/h2-3,6,9H,4-5,7-8,10H2,1H3,(H,25,26,30)
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| InChIKey |
MXZFQSBBAZHTFE-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