General Information of the Compound
| Compound ID |
CP0909327
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| Compound Name |
2-(4-(3-(3,4-difluorobenzyloxy)azetidine-1-carbonyl)-5-methyl-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 |
C21H18F2N6O3
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| Molecular Weight |
440.41
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| Canonical SMILES |
Cc1c(C(=O)N2CC(OCc3ccc(F)c(F)c3)C2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C21H18F2N6O3/c1-12-15(8-24-29(12)21-25-19(30)18-3-2-6-28(18)26-21)20(31)27-9-14(10-27)32-11-13-4-5-16(22)17(23)7-13/h2-8,14H,9-11H2,1H3,(H,25,26,30)
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| InChIKey |
KHASVTFCJKOPJL-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