General Information of the Compound
| Compound ID |
CP0536918
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| Compound Name |
5-propoxy-3-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyrazine
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| Structure |
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| Formula |
C18H15F3N6O
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| Molecular Weight |
388.353
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| Canonical SMILES |
CCCOc1cncc2nnc(-c3c[nH]nc3-c3ccc(cc3)C(F)(F)F)n12
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| InChI |
InChI=1S/C18H15F3N6O/c1-2-7-28-15-10-22-9-14-24-26-17(27(14)15)13-8-23-25-16(13)11-3-5-12(6-4-11)18(19,20)21/h3-6,8-10H,2,7H2,1H3,(H,23,25)
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| InChIKey |
DFYKORKCCWNTDS-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