General Information of the Compound
| Compound ID |
CP0088850
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| Compound Name |
(4-fluorophenyl)-[3-[6-(trifluoromethyl)pyridin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
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| Structure |
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| Formula |
C18H13F4N5O
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| Molecular Weight |
391.328
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)N1CCn2c(C1)nnc2-c1cccc(n1)C(F)(F)F
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| InChI |
InChI=1S/C18H13F4N5O/c19-12-6-4-11(5-7-12)17(28)26-8-9-27-15(10-26)24-25-16(27)13-2-1-3-14(23-13)18(20,21)22/h1-7H,8-10H2
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| InChIKey |
YEIDLEQRGTVNQJ-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