General Information of the Compound
| Compound ID |
CP0823463
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| Compound Name |
2-(4-(4-(2,2-difluorocyclobutyl)piperazine-1-carbonyl)-5-methyl-1H-1,2,3-triazol-1-yl)pyrrolo[1,2-f][1,2,4]triazin-4(3H)-one
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| Structure |
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| Formula |
C18H20F2N8O2
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| Molecular Weight |
418.408
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| Canonical SMILES |
Cc1c(C(=O)N2CCN(C3CCC3(F)F)CC2)nnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C18H20F2N8O2/c1-11-14(16(30)26-9-7-25(8-10-26)13-4-5-18(13,19)20)22-24-28(11)17-21-15(29)12-3-2-6-27(12)23-17/h2-3,6,13H,4-5,7-10H2,1H3,(H,21,23,29)
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| InChIKey |
VNQJBXYOXVKLTJ-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