General Information of the Compound
| Compound ID |
CP0839343
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| Compound Name |
2-(5-methyl-4-(4-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroquinoxaline-1-carbonyl)-1H-pyrazol-1-yl)pyrrolo[1,2-f][1,2,4]triazin-4(3H)-one
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| Structure |
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| Formula |
C21H18F3N7O2
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| Molecular Weight |
457.416
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| Canonical SMILES |
Cc1c(C(=O)N2CCN(CC(F)(F)F)c3ccccc32)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C21H18F3N7O2/c1-13-14(11-25-31(13)20-26-18(32)17-7-4-8-30(17)27-20)19(33)29-10-9-28(12-21(22,23)24)15-5-2-3-6-16(15)29/h2-8,11H,9-10,12H2,1H3,(H,26,27,32)
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| InChIKey |
XMPHAZGYKQFHDI-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