General Information of the Compound
| Compound ID |
CP0576793
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| Compound Name |
[6-[3-[2,4-bis(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 |
C29H22F9N5O3
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| Molecular Weight |
659.509
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| Canonical SMILES |
FC(F)(F)COc1ccc(CN2CCN(CC2)C(=O)c2ccc(nc2)-c2nc(no2)-c2ccc(cc2C(F)(F)F)C(F)(F)F)cc1
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| InChI |
InChI=1S/C29H22F9N5O3/c30-27(31,32)16-45-20-5-1-17(2-6-20)15-42-9-11-43(12-10-42)26(44)18-3-8-23(39-14-18)25-40-24(41-46-25)21-7-4-19(28(33,34)35)13-22(21)29(36,37)38/h1-8,13-14H,9-12,15-16H2
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| InChIKey |
ASCJXAWROASUNR-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