General Information of the Compound
| Compound ID |
CP0577711
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| Compound Name |
[4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-[6-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-3-yl]methanone
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| Structure |
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| Formula |
C27H21F6N5O3
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| Molecular Weight |
577.485
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| Canonical SMILES |
FC(F)(F)Oc1cccc(CN2CCN(CC2)C(=O)c2ccc(nc2)-c2nc(no2)-c2ccc(cc2)C(F)(F)F)c1
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| InChI |
InChI=1S/C27H21F6N5O3/c28-26(29,30)20-7-4-18(5-8-20)23-35-24(41-36-23)22-9-6-19(15-34-22)25(39)38-12-10-37(11-13-38)16-17-2-1-3-21(14-17)40-27(31,32)33/h1-9,14-15H,10-13,16H2
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| InChIKey |
RMQZNPBBKHJWOJ-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