General Information of the Compound
| Compound ID |
CP0454955
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| Compound Name |
2{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}ethyl-4-(4'-fluorophenyl)piperazine
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| Structure |
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| Formula |
C27H31FN2O2
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| Molecular Weight |
434.555
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| Canonical SMILES |
COc1cccc(CCc2ccccc2OCCN2CCN(CC2)c2ccc(F)cc2)c1
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| InChI |
InChI=1S/C27H31FN2O2/c1-31-26-7-4-5-22(21-26)9-10-23-6-2-3-8-27(23)32-20-19-29-15-17-30(18-16-29)25-13-11-24(28)12-14-25/h2-8,11-14,21H,9-10,15-20H2,1H3
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| InChIKey |
SDSWHYXPIOTKDV-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