General Information of the Compound
| Compound ID |
CP0507571
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| Compound Name |
1-[1-[2,3-bis(ethenyl)phenyl]-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]ethyl]piperazine
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| Structure |
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| Formula |
C25H26F6N2O
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| Molecular Weight |
484.484
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| Canonical SMILES |
FC(F)(F)c1cc(COCC(N2CCNCC2)c2cccc(C=C)c2C=C)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C25H26F6N2O/c1-3-18-6-5-7-22(21(18)4-2)23(33-10-8-32-9-11-33)16-34-15-17-12-19(24(26,27)28)14-20(13-17)25(29,30)31/h3-7,12-14,23,32H,1-2,8-11,15-16H2
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| InChIKey |
PDKAKBKHMCQDHQ-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