General Information of the Compound
| Compound ID |
CP0573577
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| Compound Name |
[6-[3-[3-fluoro-4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-3-yl]-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone
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| Structure |
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| Formula |
C28H22F7N5O3
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| Molecular Weight |
609.502
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| Canonical SMILES |
Fc1cc(ccc1C(F)(F)F)-c1noc(n1)-c1ccc(cn1)C(=O)N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1
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| InChI |
InChI=1S/C28H22F7N5O3/c29-22-13-18(3-7-21(22)28(33,34)35)24-37-25(43-38-24)23-8-4-19(14-36-23)26(41)40-11-9-39(10-12-40)15-17-1-5-20(6-2-17)42-16-27(30,31)32/h1-8,13-14H,9-12,15-16H2
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| InChIKey |
VOYQBAQVQFBLEW-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