General Information of the Compound
| Compound ID |
CP0576999
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| Compound Name |
[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]-[5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanone
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| Structure |
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| Formula |
C26H21F6N5O3S
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| Molecular Weight |
597.541
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| Canonical SMILES |
FC(F)(F)COc1ccc(CN2CCN(CC2)C(=O)c2ncc(s2)-c2nc(no2)-c2ccc(cc2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C26H21F6N5O3S/c27-25(28,29)15-39-19-7-1-16(2-8-19)14-36-9-11-37(12-10-36)24(38)23-33-13-20(41-23)22-34-21(35-40-22)17-3-5-18(6-4-17)26(30,31)32/h1-8,13H,9-12,14-15H2
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| InChIKey |
ZHFHRNXVRGUBNF-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