General Information of the Compound
| Compound ID |
CP0548141
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| Compound Name |
5-[2-(2-methoxyphenyl)ethoxy]-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 |
C24H19F3N6O2
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| Molecular Weight |
480.45
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| Canonical SMILES |
COc1ccccc1CCOc1cncc2nnc(-c3c[nH]nc3-c3ccc(cc3)C(F)(F)F)n12
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| InChI |
InChI=1S/C24H19F3N6O2/c1-34-19-5-3-2-4-15(19)10-11-35-21-14-28-13-20-30-32-23(33(20)21)18-12-29-31-22(18)16-6-8-17(9-7-16)24(25,26)27/h2-9,12-14H,10-11H2,1H3,(H,29,31)
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| InChIKey |
ZFKRLPIIIJOIPX-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